data_2mbx_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 2mbx _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 ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.08 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.498 ' CG2' ' HE3' ' A' ' 39' ' ' LYS . 56.2 mt -59.63 -32.6 49.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 121.601 0.715 . . . . 0.0 109.575 172.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -121.07 149.72 42.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.737 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -101.62 106.18 17.2 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 175.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -50.13 -37.98 36.93 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.386 -176.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.69 -41.15 96.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -72.54 -37.36 68.31 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 120.665 0.269 . . . . 0.0 110.943 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.57 -54.42 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.47 172.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.4 m -60.37 -39.21 86.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.509 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.93 -61.46 2.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.765 -178.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.44 -32.83 74.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.303 -177.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.695 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 67.6 mt -69.55 -31.32 69.45 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.82 0.343 . . . . 0.0 111.486 178.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.94 -29.06 64.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.001 0.429 . . . . 0.0 109.931 175.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.39 -42.06 19.14 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.134 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.695 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 31.9 p -81.95 45.37 0.91 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.774 0.797 . . . . 0.0 110.574 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.546 ' HZ1' ' HB3' ' A' ' 20' ' ' LYS . 8.1 ttpm? -115.36 -13.44 11.66 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.829 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.63 132.47 48.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.343 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.99 120.0 11.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.04 0.447 . . . . 0.0 110.561 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.65 -18.46 29.61 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 -175.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.1 m -108.7 51.02 0.76 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.14 -0.53 . . . . 0.0 109.76 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -102.26 58.0 0.81 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.023 -174.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -87.83 77.58 8.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 122.061 0.934 . . . . 0.0 109.243 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.624 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -84.84 -20.94 30.09 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.433 -175.241 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 16.1 mtmm -67.79 -33.06 74.08 Favored 'General case' 0 N--CA 1.423 -1.819 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 175.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.14 -31.63 72.92 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.948 173.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.624 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 51.5 t80 -57.01 -50.73 71.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.342 175.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.461 ' CD2' ' HA ' ' A' ' 28' ' ' LYS . 15.4 m-85 -60.18 -46.68 88.88 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.772 0.32 . . . . 0.0 111.096 -177.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.0 t -74.22 -21.75 59.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.636 -177.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -81.63 -48.66 11.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.835 0.35 . . . . 0.0 110.899 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.4 m -75.0 -8.54 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.562 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.86 19.43 53.8 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.508 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.7 tp -77.04 -21.7 54.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.804 0.335 . . . . 0.0 110.574 -175.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.05 -4.64 48.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.104 0.478 . . . . 0.0 110.455 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -116.95 44.27 2.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.765 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.498 ' HE3' ' CG2' ' A' ' 6' ' ' ILE . 15.5 mmtm -108.61 149.78 28.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.049 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.5 m -92.62 162.39 29.53 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 177.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.502 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 81.3 Cg_exo -42.87 -49.78 6.57 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.972 2.448 . . . . 0.0 113.332 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.93 -43.38 91.16 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 120.785 0.326 . . . . 0.0 111.586 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.727 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 37.1 m-20 -64.75 -48.08 75.86 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 44' ' ' ILE . 6.1 mm -61.46 -24.95 35.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.39 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.641 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 30.4 mmtp -77.6 -31.88 53.23 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 122.086 -0.384 . . . . 0.0 111.894 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.727 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -74.67 -30.85 61.73 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 173.249 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.644 ' O ' HD12 ' A' ' 51' ' ' ILE . 38.5 t -68.74 -30.92 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.653 174.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.641 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 2.0 t80 -52.18 -49.51 63.71 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.236 0.541 . . . . 0.0 110.196 169.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -66.75 -15.29 63.44 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.023 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.588 ' HA ' ' ND2' ' A' ' 70' ' ' ASN . 51.9 mt -75.68 -50.63 22.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 119.229 -0.415 . . . . 0.0 111.867 174.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.644 HD12 ' O ' ' A' ' 47' ' ' VAL . 0.1 OUTLIER -67.5 -22.1 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 176.677 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.423 ' CG ' ' H ' ' A' ' 56' ' ' SER . 38.9 t0 -93.25 62.89 3.54 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 170.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -65.35 -21.04 66.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.181 0.515 . . . . 0.0 110.581 -172.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.539 ' OD1' ' HG2' ' A' ' 63' ' ' GLU . 1.5 m-20 -85.06 -19.05 32.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.368 177.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.7 tptt 60.74 63.83 1.25 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 121.818 0.818 . . . . 0.0 109.686 -173.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.425 ' C ' ' H ' ' A' ' 58' ' ' PHE . 52.5 p -122.15 10.37 10.01 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.375 -173.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.7 t70 70.82 -3.26 2.03 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.576 0.75 . . . . 0.0 110.964 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.425 ' H ' ' C ' ' A' ' 56' ' ' SER . 92.9 m-85 -136.85 150.83 48.52 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 175.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.551 ' O ' HG21 ' A' ' 59' ' ' VAL . 0.4 OUTLIER -122.28 102.36 11.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.65 0.738 . . . . 0.0 110.455 -176.624 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.473 ' OE2' ' HE3' ' A' ' 97' ' ' LYS . 59.7 mm-40 -94.42 174.92 6.89 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.105 -179.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -58.98 -43.29 91.36 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.668 0.27 . . . . 0.0 111.64 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -60.62 -22.01 63.33 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.991 0.424 . . . . 0.0 111.199 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.539 ' HG2' ' OD1' ' A' ' 54' ' ' ASP . 44.1 mt-10 -81.92 -39.96 23.01 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 177.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.485 ' HG ' ' CD2' ' A' ' 87' ' ' LEU . 2.7 mm? -62.94 -19.19 64.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.95 0.405 . . . . 0.0 111.154 176.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -65.5 -52.57 51.79 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.008 177.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.493 HD11 ' NE2' ' A' ' 69' ' ' GLN . 1.4 mm? -103.07 3.86 36.51 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -179.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.619 ' CD1' ' HG ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -62.1 -26.82 68.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.381 0.61 . . . . 0.0 109.552 -177.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.619 ' HG ' ' CD1' ' A' ' 67' ' ' PHE . 0.7 OUTLIER -73.2 -34.02 65.72 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.424 -178.447 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.493 ' NE2' HD11 ' A' ' 66' ' ' LEU . 78.6 mt-30 -67.82 -23.74 65.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.345 0.593 . . . . 0.0 109.441 175.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.588 ' ND2' ' HA ' ' A' ' 50' ' ' ILE . 53.4 t30 -82.83 -29.09 29.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.562 176.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -71.84 -51.19 23.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.371 175.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.4 m -148.03 141.13 24.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.885 178.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.64 -28.12 69.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.541 -170.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -110.15 47.27 1.06 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.281 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.412 ' HB2' HD11 ' A' ' 16' ' ' LEU . . . -101.09 157.61 16.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.874 0.369 . . . . 0.0 111.172 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.504 ' O ' HD12 ' A' ' 68' ' ' LEU . 20.3 mmt180 -92.36 142.34 27.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.498 -177.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.1 133.27 36.08 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 175.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 45.4 mt -74.81 142.87 44.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.595 -172.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.8 p -96.73 -171.49 2.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.969 -176.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -48.86 -66.64 0.37 Allowed 'General case' 0 CA--C 1.505 -0.771 0 O-C-N 123.68 0.612 . . . . 0.0 112.503 -174.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.5 -26.45 60.01 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.867 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.448 ' OE1' ' HB2' ' A' ' 19' ' ' CYS . 21.4 tp10 -66.77 -57.59 6.76 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.684 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.5 m -59.48 -37.55 78.54 Favored 'General case' 0 C--O 1.223 -0.329 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.185 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -59.06 -61.6 2.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.679 -177.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.98 -38.18 81.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.56 -176.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -60.45 -51.4 69.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.04 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.488 ' HA ' HD11 ' A' ' 98' ' ' ILE . 76.6 mt -57.25 -51.86 67.63 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 120.986 0.422 . . . . 0.0 110.082 178.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm -65.41 -15.45 62.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.771 -174.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.69 -37.23 63.02 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.539 ' CA ' ' HB3' ' A' ' 106' ' ' MET . . . -114.36 -42.46 0.82 Allowed Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.015 177.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.438 ' HA ' ' CD ' ' A' ' 102' ' ' GLU . 25.7 t0 -60.06 94.12 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.145 0.497 . . . . 0.0 109.985 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.8 m -96.97 -27.51 14.6 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.054 -175.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.0 p30 -83.0 -7.01 59.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.32 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.92 44.95 90.82 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.299 -0.864 . . . . 0.0 113.247 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 39.2 p-10 -109.22 20.07 18.73 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.9 28.81 73.28 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.318 -0.468 . . . . 0.0 112.908 171.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.518 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 6.5 ptmt -144.14 167.01 23.42 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -174.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.509 ' HB ' HG22 ' A' ' 59' ' ' VAL . 25.0 mm -105.71 98.06 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 170.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.65 137.43 48.67 Favored Glycine 0 N--CA 1.433 -1.51 0 N-CA-C 107.159 -2.376 . . . . 0.0 107.159 166.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.494 HG11 ' CD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -70.61 -18.56 21.21 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 CA-C-N 118.599 1.2 . . . . 0.0 110.841 -170.465 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -81.0 -34.32 33.01 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.038 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.503 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 16.1 mt-10 -62.52 -38.09 88.61 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 170.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.711 ' O ' ' HG2' ' A' ' 106' ' ' MET . 18.2 t80 -62.81 -53.08 59.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.209 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.37 -35.15 60.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.554 -0.832 . . . . 0.0 111.882 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.79 -45.24 68.41 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.711 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 8.8 ptm -67.41 -31.33 71.46 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.631 0.253 . . . . 0.0 111.399 -177.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.632 HD11 ' CE2' ' A' ' 103' ' ' PHE . 75.5 mt -75.89 -38.41 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-O 121.654 0.74 . . . . 0.0 109.648 -177.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.544 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -77.98 -31.75 50.9 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 114.633 -1.167 . . . . 0.0 109.884 -177.566 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 O-C-N 123.728 0.642 . . . . 0.0 110.15 -174.673 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.72 -35.07 49.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 121.803 0.811 . . . . 0.0 109.397 172.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.404 HD21 ' C ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -128.53 156.11 43.8 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.5 176.902 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -102.1 135.57 43.46 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -57.45 -34.35 68.88 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 176.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.46 -40.73 76.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.065 -0.97 . . . . 0.0 112.1 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.669 ' OD1' ' HA ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -77.56 -42.36 35.6 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.125 0.488 . . . . 0.0 110.567 -173.157 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.443 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.6 mp -57.86 -54.35 32.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.226 171.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.5 m -56.59 -33.12 65.9 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.267 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.2 -44.1 87.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.84 0.353 . . . . 0.0 110.582 177.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.02 -41.1 82.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.087 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 12' ' ' ILE . 4.6 mm? -61.98 -38.85 90.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.294 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.98 -25.69 59.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.884 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.716 ' O ' ' HB3' ' A' ' 24' ' ' SER . . . -76.08 -43.43 43.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.905 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.1 m -87.06 47.06 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.989 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -66.54 -37.26 84.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.642 -174.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.415 ' H ' ' HB2' ' A' ' 24' ' ' SER . . . -166.56 -157.29 0.27 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.779 0.323 . . . . 0.0 111.748 -175.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.402 ' HA ' ' CE2' ' A' ' 25' ' ' PHE . 54.7 mm-40 -52.24 133.97 33.76 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.586 -0.733 . . . . 0.0 112.028 -177.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.19 -7.59 10.53 Favored Glycine 0 CA--C 1.519 0.337 0 CA-C-N 115.451 -0.795 . . . . 0.0 113.356 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.716 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 45.7 m -99.39 -27.67 13.64 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.571 -0.37 . . . . 0.0 111.438 -177.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.549 ' CD1' HG13 ' A' ' 85' ' ' VAL . 3.6 p90 -69.5 118.31 12.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.371 0.605 . . . . 0.0 111.779 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.419 ' OD2' ' HB3' ' A' ' 28' ' ' LYS . 15.7 t70 -137.91 97.79 3.5 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.48 173.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.41 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 3.7 p-80 -52.13 -33.05 38.3 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.38 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.542 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 64.0 tttm -67.85 -53.79 24.05 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.749 -178.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.68 -38.5 64.26 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.148 174.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.41 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 78.2 t80 -55.85 -58.93 5.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.919 178.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.542 ' CD2' ' HA ' ' A' ' 28' ' ' LYS . 1.9 p90 -62.41 -38.72 90.78 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.272 0.558 . . . . 0.0 111.274 -174.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 28' ' ' LYS . 8.3 t -86.57 -21.09 27.06 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.114 -170.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -80.82 -42.87 20.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.481 177.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.669 ' HA ' ' OD1' ' A' ' 11' ' ' ASP . 11.3 m -80.91 -1.17 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-O 121.211 0.529 . . . . 0.0 111.03 178.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.435 ' O ' ' HG2' ' A' ' 39' ' ' LYS . . . 65.74 34.06 87.73 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.815 -0.629 . . . . 0.0 112.372 178.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.436 HD13 HG23 ' A' ' 47' ' ' VAL . 12.2 tp -76.75 -33.4 58.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.829 0.347 . . . . 0.0 110.707 -177.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.513 ' HB1' ' CD1' ' A' ' 31' ' ' PHE . . . -67.21 -21.13 65.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -93.51 -6.11 47.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.27 178.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 46.4 mmtm -72.21 144.77 48.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.413 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.3 m -75.13 157.12 85.51 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.848 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -43.75 -47.56 9.65 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.193 2.596 . . . . 0.0 113.51 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.24 95.88 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.193 0.521 . . . . 0.0 111.683 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.488 ' O ' HG21 ' A' ' 47' ' ' VAL . 19.7 m-20 -68.15 -42.9 79.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.789 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 mt -70.36 -23.42 24.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.043 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 21.4 tptm -64.65 -44.45 90.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.009 0.433 . . . . 0.0 110.935 177.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.729 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -72.69 -24.07 60.96 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.039 -0.664 . . . . 0.0 109.827 176.214 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.596 ' O ' HD11 ' A' ' 51' ' ' ILE . 96.1 t -65.24 -38.55 82.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.298 0.571 . . . . 0.0 109.711 171.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.516 ' HA ' HD13 ' A' ' 51' ' ' ILE . 10.5 m-30 -59.23 -35.76 74.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.214 176.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.729 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 8.3 pt-20 -79.07 -15.7 57.82 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.449 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.687 HG13 ' O ' ' A' ' 46' ' ' LYS . 47.1 mt -70.28 -45.66 74.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.423 176.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.596 HD11 ' O ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -62.56 -35.4 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 176.018 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.415 ' OD2' ' HA ' ' A' ' 55' ' ' LYS . 34.8 t0 -80.65 62.51 4.74 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.211 174.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.33 -37.16 72.11 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.533 0.682 . . . . 0.0 110.813 -171.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.581 ' HB3' ' OE2' ' A' ' 63' ' ' GLU . 3.1 t70 -75.77 -18.67 59.45 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.575 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.415 ' HA ' ' OD2' ' A' ' 52' ' ' ASP . 24.3 tptp 62.53 65.01 0.87 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 122.14 0.971 . . . . 0.0 110.834 -176.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.446 ' C ' ' H ' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -110.73 -0.81 16.93 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.665 -1.152 . . . . 0.0 110.462 -179.113 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 56' ' ' SER . 2.5 m-20 71.63 -1.12 2.91 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.685 0.794 . . . . 0.0 110.374 -174.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.446 ' H ' ' C ' ' A' ' 56' ' ' SER . 96.5 m-85 -136.12 139.3 42.83 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 172.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.696 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 59.5 t -103.67 114.21 42.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.384 -173.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -88.17 177.39 6.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.9 0.381 . . . . 0.0 111.304 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -66.4 -46.35 76.9 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.976 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -68.79 -23.24 64.27 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.662 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.581 ' OE2' ' HB3' ' A' ' 54' ' ' ASP . 44.6 mt-10 -70.81 -39.4 73.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.075 172.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.535 ' HG ' ' CD1' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -62.85 -28.96 70.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.581 179.81 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -60.5 -55.71 30.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.872 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -100.61 5.39 43.89 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.702 -0.399 . . . . 0.0 112.024 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.59 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -58.05 -32.25 67.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.399 0.619 . . . . 0.0 109.538 178.832 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.59 ' HG ' ' CE2' ' A' ' 67' ' ' PHE . 1.2 mp -72.18 -34.02 68.12 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.667 -177.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -71.27 -19.15 62.38 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -82.8 -35.09 26.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.275 174.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -65.46 -50.27 65.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.451 176.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.9 m -150.41 137.61 19.47 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.888 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.2 -27.31 68.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.505 -172.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -99.36 16.0 59.53 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.43 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.79 150.08 26.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.994 0.426 . . . . 0.0 111.049 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.2 mtp-105 -81.87 148.79 28.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.238 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.27 118.75 30.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.154 173.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.5 mp -65.16 137.34 57.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.717 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.516 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 16.9 m -133.87 142.98 48.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.915 0.388 . . . . 0.0 111.665 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.2 t70 57.92 -108.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.359 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.467 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -69.64 -39.82 76.9 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -168.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 79' ' ' SER . 3.7 pt-20 -67.9 -34.98 77.69 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.351 -175.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.496 ' O ' ' HB2' ' A' ' 87' ' ' LEU . 3.6 m -67.56 -48.56 66.57 Favored 'General case' 0 C--O 1.216 -0.704 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 173.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -54.67 -59.74 4.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.409 -175.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.549 HG13 ' CD1' ' A' ' 25' ' ' PHE . 8.4 p -67.32 -38.81 81.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.534 0.207 . . . . 0.0 111.55 -174.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -71.53 -31.9 67.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.388 . . . . 0.0 110.343 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.554 ' CD1' HG12 ' A' ' 98' ' ' ILE . 13.6 tp -68.44 -47.39 67.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.467 0.651 . . . . 0.0 109.671 177.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -70.04 -17.45 63.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.933 -177.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.48 -29.18 66.01 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.384 0.612 . . . . 0.0 110.224 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.444 ' O ' ' HB3' ' A' ' 102' ' ' GLU . . . -107.83 -53.32 0.67 Allowed Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.842 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.49 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 22.6 t0 -65.96 99.21 0.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.155 0.502 . . . . 0.0 109.744 176.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.4 m -96.92 -16.68 20.56 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.595 -171.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -103.06 -0.46 30.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.955 -175.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.0 53.03 4.37 Favored Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.678 -0.772 . . . . 0.0 114.409 170.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.416 ' CB ' ' HG2' ' A' ' 97' ' ' LYS . 37.1 m-20 -86.68 -21.52 26.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.225 0.512 . . . . 0.0 110.207 176.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.52 24.68 60.26 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -173.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.696 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 19.4 ptpt -158.64 175.7 13.31 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -176.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.576 ' O ' ' HB ' ' A' ' 59' ' ' VAL . 5.9 mm -101.31 113.83 38.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.268 0.556 . . . . 0.0 110.969 177.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -71.07 136.04 24.92 Favored Glycine 0 N--CA 1.434 -1.483 0 N-CA-C 107.96 -2.056 . . . . 0.0 107.96 162.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.444 HG12 ' CG ' ' A' ' 48' ' ' PHE . 13.7 t -58.02 -42.77 83.58 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 117.549 0.675 . . . . 0.0 111.337 -174.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -71.63 -30.43 65.75 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.996 0.427 . . . . 0.0 110.081 178.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.444 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 29.8 mt-10 -65.31 -35.35 80.74 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.408 177.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.431 ' O ' HG13 ' A' ' 107' ' ' ILE . 57.3 t80 -64.6 -42.43 95.56 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 177.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.4 -37.27 65.51 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.572 175.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.1 -30.31 71.49 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 6.0 ptp -83.71 -22.31 32.05 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.94 -178.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 103' ' ' PHE . 45.0 mt -75.38 -30.25 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 122.31 1.053 . . . . 0.0 109.032 178.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.1 tmmt? -94.49 -17.57 22.3 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.147 -1.388 . . . . 0.0 111.006 -177.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.653 -0.689 . . . . 0.0 110.663 179.624 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.559 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.8 mm -63.38 -40.77 90.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.509 0.671 . . . . 0.0 109.265 172.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.41 135.39 18.88 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.611 170.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -94.37 114.59 26.66 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.454 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -55.5 -34.07 64.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.598 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.07 -43.7 94.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.133 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.25 -45.91 78.94 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.106 0.479 . . . . 0.0 111.027 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.14 -44.12 98.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.306 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.4 m -63.9 -34.92 79.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.835 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.27 99.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.987 0.422 . . . . 0.0 110.701 177.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.72 -37.34 82.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.661 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.0 mt -74.18 -18.48 60.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.047 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.67 -35.2 39.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.224 0.535 . . . . 0.0 109.959 173.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.89 -28.97 63.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.603 175.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.6 m -108.21 34.89 3.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.417 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -74.42 -30.02 61.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.869 177.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.21 108.44 3.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.865 175.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -62.69 130.51 45.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.82 -177.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.17 10.97 63.59 Favored Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.9 t -134.06 28.92 3.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.964 0.412 . . . . 0.0 110.263 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -69.89 125.03 25.53 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.523 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.495 ' OD1' ' HB3' ' A' ' 28' ' ' LYS . 13.6 t70 -107.8 92.95 4.28 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 173.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -47.71 -31.63 4.94 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.901 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.602 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . 7.4 ttpm? -72.53 -51.13 21.22 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.689 -176.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.79 -32.7 45.23 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.755 177.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -65.83 -57.34 8.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.602 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.602 ' CE2' ' HA ' ' A' ' 28' ' ' LYS . 1.3 p90 -64.44 -36.53 84.48 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.377 0.608 . . . . 0.0 111.207 -175.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.434 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 3.3 t -86.31 -20.41 28.41 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.94 -169.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -82.6 -48.83 10.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.867 177.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.0 m -75.08 -11.71 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.746 -175.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.86 30.46 23.45 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.919 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.419 HD13 ' HG3' ' A' ' 39' ' ' LYS . 11.6 tp -80.21 -23.17 41.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.988 0.423 . . . . 0.0 110.535 -176.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.437 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . . . -68.58 -23.14 64.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.31 -175.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -112.52 30.84 6.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.043 0.449 . . . . 0.0 111.349 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.419 ' HG3' HD13 ' A' ' 36' ' ' LEU . 67.7 mmtt -83.69 146.74 28.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.223 0.535 . . . . 0.0 111.202 -179.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.8 m -83.36 159.82 60.96 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.433 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -44.67 -43.85 14.32 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.451 2.767 . . . . 0.0 114.475 -174.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.91 -43.75 97.95 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 120.796 0.331 . . . . 0.0 111.747 -176.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.515 ' O ' HG23 ' A' ' 47' ' ' VAL . 9.9 t0 -70.24 -46.48 64.37 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.4 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 11.4 mm -62.19 -28.29 44.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.848 177.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 21.7 tptm -62.77 -47.32 84.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.904 177.049 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.634 ' O ' HG13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -71.31 -23.55 61.97 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.036 -0.666 . . . . 0.0 110.014 177.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.578 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 91.2 t -64.64 -41.21 91.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 121.186 0.517 . . . . 0.0 109.768 171.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.661 ' CG ' HG11 ' A' ' 100' ' ' VAL . 20.9 m-30 -57.63 -32.51 67.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.569 174.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -79.25 -16.3 56.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.312 176.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.634 HG13 ' O ' ' A' ' 46' ' ' LYS . 58.6 mt -72.68 -45.88 56.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.374 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.669 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -66.01 -33.74 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.358 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -82.18 56.7 3.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.256 176.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -23.22 67.19 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.83 0.348 . . . . 0.0 111.741 -173.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -85.16 -16.1 41.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.148 0.499 . . . . 0.0 110.658 175.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.93 62.38 2.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.641 176.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 m -120.63 5.05 10.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.423 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 70.64 13.6 7.27 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 114.869 -1.06 . . . . 0.0 110.888 -176.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -132.83 136.25 46.14 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 168.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.669 HG11 ' HB ' ' A' ' 51' ' ' ILE . 58.7 t -120.41 82.73 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.272 -169.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -80.79 175.82 10.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.843 0.354 . . . . 0.0 111.731 -176.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.479 ' HG2' ' HZ1' ' A' ' 65' ' ' LYS . 39.4 tt0 -56.27 -37.63 70.08 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 177.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.5 -34.46 69.1 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.173 177.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.533 ' HB3' ' O ' ' A' ' 51' ' ' ILE . 1.1 mp0 -69.52 -44.14 71.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.865 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.535 ' HG ' ' CD2' ' A' ' 87' ' ' LEU . 4.3 mm? -63.64 -19.58 64.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.454 -177.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.479 ' HZ1' ' HG2' ' A' ' 61' ' ' GLU . 28.4 mmtm -63.62 -51.66 64.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.98 0.419 . . . . 0.0 110.601 174.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.408 HD23 ' HB2' ' A' ' 65' ' ' LYS . 1.3 mm? -101.02 5.14 42.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.513 -177.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.507 ' CD1' HG22 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -51.85 -36.91 49.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.5 173.269 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.5 HD22 ' H ' ' A' ' 68' ' ' LEU . 1.7 mm? -63.11 -46.49 87.1 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.068 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.507 ' HA ' ' O ' ' A' ' 72' ' ' SER . 79.3 mt-30 -71.56 -10.52 59.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.787 -178.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.629 ' ND2' ' HA ' ' A' ' 50' ' ' ILE . 60.1 t30 -90.61 -33.17 15.97 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 177.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.46 -44.24 62.61 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 174.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.507 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 49.0 m -149.78 122.2 8.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.084 175.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.52 -28.66 63.66 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -172.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -101.11 58.05 0.68 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.337 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -121.48 163.43 18.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.925 0.393 . . . . 0.0 111.447 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.429 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -87.12 142.39 27.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.723 -178.704 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.55 119.0 27.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.635 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.0 mp -64.56 150.21 47.28 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.405 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.0 p -135.7 129.36 32.57 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 113.855 1.058 . . . . 0.0 113.855 -174.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.5 t70 54.38 -98.2 0.08 Allowed 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 114.361 -1.291 . . . . 0.0 113.24 168.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.403 ' O ' HG11 ' A' ' 85' ' ' VAL . . . -66.04 -37.62 86.32 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.748 0.309 . . . . 0.0 111.813 -168.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -77.2 -38.81 50.71 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.215 -176.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.539 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 3.0 m -64.71 -37.93 89.28 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 120.776 0.322 . . . . 0.0 110.305 174.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -60.06 -58.14 9.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.066 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.403 HG11 ' O ' ' A' ' 81' ' ' ALA . 5.8 p -66.17 -29.43 46.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.072 0.463 . . . . 0.0 110.726 -178.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -70.23 -34.0 72.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.543 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 83' ' ' THR . 77.9 mt -66.83 -48.94 67.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.057 0.456 . . . . 0.0 110.133 174.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -69.16 -17.6 63.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.353 -175.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.16 -27.4 67.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.382 0.611 . . . . 0.0 110.162 174.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.511 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -118.67 -58.78 0.27 Allowed Glycine 0 N--CA 1.441 -1.006 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.574 -178.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 11.4 t70 -64.27 107.31 1.29 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.7 p -85.02 -25.62 27.57 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.147 0.498 . . . . 0.0 110.175 -170.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -83.94 -23.92 30.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.148 -178.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 78.17 43.23 13.8 Favored Glycine 0 C--N 1.331 0.292 0 CA-C-N 115.837 -0.62 . . . . 0.0 113.314 172.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.476 ' OD2' ' HG2' ' A' ' 97' ' ' LYS . 7.4 p-10 -98.05 19.64 13.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.914 0.388 . . . . 0.0 111.723 -175.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.41 29.01 51.09 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 120.642 -0.789 . . . . 0.0 113.47 173.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.563 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 10.8 ptpt -145.34 177.88 8.5 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-O 121.23 0.538 . . . . 0.0 109.793 -178.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.598 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 9.3 mm -113.56 105.29 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 CA-C-N 114.869 -1.06 . . . . 0.0 108.735 166.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.68 138.1 48.41 Favored Glycine 0 N--CA 1.433 -1.558 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 169.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.661 HG11 ' CG ' ' A' ' 48' ' ' PHE . 3.3 t -55.81 -48.21 78.5 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 CA-C-O 120.971 0.415 . . . . 0.0 110.75 -178.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -68.99 -33.54 73.83 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.204 0.526 . . . . 0.0 110.042 176.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.511 ' HB3' ' C ' ' A' ' 90' ' ' GLY . 5.4 mm-40 -59.27 -43.56 92.5 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.551 177.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.598 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . 30.6 t80 -66.3 -45.04 81.76 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.875 -177.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.19 -32.49 60.16 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.858 -0.686 . . . . 0.0 111.694 178.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.77 -32.71 73.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.569 -0.316 . . . . 0.0 111.687 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.484 ' HE1' ' CD1' ' A' ' 103' ' ' PHE . 1.5 ptp -81.62 -21.67 38.12 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.666 -178.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.444 HD13 ' CD2' ' A' ' 103' ' ' PHE . 64.1 mt -76.66 -37.65 29.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 122.041 0.924 . . . . 0.0 108.967 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 0.7 OUTLIER -83.55 -27.55 29.22 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.244 -1.343 . . . . 0.0 109.886 178.854 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.255 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.825 -178.691 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.112 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.6 mt -56.09 -37.74 50.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.503 0.668 . . . . 0.0 109.222 169.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.417 ' HB2' ' CD1' ' A' ' 12' ' ' ILE . 4.3 pp -125.08 157.58 35.93 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.985 178.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.442 ' N ' HD21 ' A' ' 8' ' ' ASN . 0.9 OUTLIER -101.82 123.77 46.34 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 172.396 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -55.11 -30.06 58.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.134 0.492 . . . . 0.0 110.202 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.43 -33.97 63.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.746 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.488 ' OD1' ' HA ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -80.78 -39.23 27.15 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.252 0.548 . . . . 0.0 110.055 -176.611 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.417 ' CD1' ' HB2' ' A' ' 7' ' ' LEU . 1.4 mp -60.18 -47.05 93.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.321 172.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.5 m -64.17 -31.9 73.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.24 95.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.793 0.33 . . . . 0.0 111.193 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.18 -38.22 75.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.951 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.7 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 92.4 mt -68.95 -23.09 64.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.8 0.333 . . . . 0.0 110.922 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.22 -30.31 48.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.13 0.491 . . . . 0.0 110.25 174.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.83 -30.96 64.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.166 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.7 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 26.7 p -100.84 21.64 13.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.674 177.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -70.88 -34.54 71.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.165 0.507 . . . . 0.0 110.161 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.97 138.53 38.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.532 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -63.17 130.89 46.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.011 0.434 . . . . 0.0 110.42 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.97 -21.19 38.11 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.028 -176.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.4 t -87.57 15.96 6.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.509 0.671 . . . . 0.0 110.053 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -80.02 97.12 6.67 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.391 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -105.59 92.65 4.28 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -52.32 -34.93 49.32 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.354 0.597 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.526 ' O ' HG22 ' A' ' 32' ' ' THR . 57.1 tttp -76.49 -48.75 18.5 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.506 -176.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.45 ' HA ' ' CG2' ' A' ' 32' ' ' THR . . . -60.0 -32.25 70.69 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.102 177.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.431 ' O ' HG21 ' A' ' 34' ' ' VAL . 62.1 t80 -55.9 -56.3 22.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.337 174.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -63.13 -41.45 99.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.917 -176.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 28' ' ' LYS . 4.8 t -76.45 -21.62 55.67 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.527 -178.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -79.84 -48.58 13.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.653 0.263 . . . . 0.0 110.731 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.488 ' HA ' ' OD1' ' A' ' 11' ' ' ASP . 30.1 m -74.5 -12.32 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-O 120.941 0.4 . . . . 0.0 111.194 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.46 19.65 58.11 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.531 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.436 HD12 HG23 ' A' ' 47' ' ' VAL . 17.5 tp -83.17 6.89 17.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.166 0.507 . . . . 0.0 110.793 -176.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.56 -10.49 31.94 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 170.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.91 23.09 11.24 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 121.435 0.636 . . . . 0.0 111.086 -177.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -74.98 173.44 10.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.489 179.764 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.417 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 19.4 m -103.97 160.12 27.12 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.638 171.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 40' ' ' SER . 1.3 Cg_endo -44.31 -47.8 10.44 Favored 'Trans proline' 0 CA--C 1.535 0.56 0 C-N-CA 123.315 2.677 . . . . 0.0 114.02 -178.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.6 -31.38 72.58 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.726 0.298 . . . . 0.0 111.635 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.664 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 47.1 m-20 -67.85 -42.63 81.1 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 179.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 44' ' ' ILE . 4.9 mm -70.52 -27.79 32.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.786 177.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 4.2 tppp? -60.89 -45.63 93.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.312 . . . . 0.0 110.727 177.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.664 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -70.89 -26.38 63.2 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.881 178.392 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.554 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 83.3 t -66.79 -35.78 75.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.901 0.381 . . . . 0.0 110.493 173.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.422 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 18.0 m-30 -57.97 -40.62 81.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.231 0.539 . . . . 0.0 110.219 173.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.91 -27.39 67.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.482 174.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.641 HG12 ' O ' ' A' ' 46' ' ' LYS . 22.7 mm -64.27 -50.09 78.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.537 -175.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.584 ' HB ' HG12 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -67.32 -34.9 71.92 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.287 -178.894 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.471 ' HA ' ' HG2' ' A' ' 63' ' ' GLU . 14.0 t0 -82.92 78.78 9.46 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.9 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.553 ' H ' ' HG3' ' A' ' 63' ' ' GLU . 5.5 tp60 -46.39 -46.59 18.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.289 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.37 -12.57 27.66 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.593 -175.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.424 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 81.5 tttt 59.92 63.76 1.4 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 122.308 1.051 . . . . 0.0 111.178 -178.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.6 t -105.92 20.21 19.3 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.607 -1.179 . . . . 0.0 109.61 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.9 p30 52.13 17.81 0.75 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.712 1.205 . . . . 0.0 111.856 -175.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -150.05 115.36 5.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.427 176.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.639 ' HB ' ' O ' ' A' ' 98' ' ' ILE . 50.3 t -93.75 98.4 8.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.372 -172.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.536 ' O ' ' HB2' ' A' ' 63' ' ' GLU . 78.9 mm-40 -84.31 -173.42 4.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.395 -178.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -72.17 -36.07 69.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.149 -0.344 . . . . 0.0 110.677 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.87 -23.16 67.18 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.114 0.483 . . . . 0.0 109.889 176.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.553 ' HG3' ' H ' ' A' ' 53' ' ' GLN . 0.5 OUTLIER -64.06 -58.82 5.53 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.854 172.178 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.505 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 4.5 mm? -61.62 -19.42 62.23 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.979 -174.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.549 ' O ' HD11 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -65.05 -57.16 9.37 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.084 0.469 . . . . 0.0 110.739 176.861 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 68.3 mt -103.21 4.71 37.05 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -176.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.505 ' HD1' ' O ' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -61.6 -26.85 68.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.959 0.885 . . . . 0.0 108.718 177.828 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.549 HD11 ' O ' ' A' ' 65' ' ' LYS . 1.2 mt -65.84 -37.4 86.12 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.629 -1.169 . . . . 0.0 110.325 178.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.5 ' HA ' ' O ' ' A' ' 72' ' ' SER . 83.4 mm-40 -74.67 -14.94 60.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.897 177.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.516 ' HB2' ' OE1' ' A' ' 53' ' ' GLN . 63.9 t30 -85.95 -19.48 30.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.292 174.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -96.83 -33.4 11.67 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.639 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.5 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 13.2 p -163.72 151.65 13.0 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.287 -179.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.27 -14.79 39.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.703 0.287 . . . . 0.0 111.73 -176.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -105.1 19.08 41.39 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.412 ' HB1' ' OG ' ' A' ' 72' ' ' SER . . . -80.42 168.12 19.36 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.015 0.436 . . . . 0.0 111.3 -178.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.543 ' O ' HD13 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -115.51 130.31 56.83 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -178.85 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.463 ' HA ' ' CD1' ' A' ' 68' ' ' LEU . . . -72.74 128.09 34.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.148 0.499 . . . . 0.0 111.595 -178.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.4 mp -79.28 149.44 31.82 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.937 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.2 p -177.56 75.68 0.02 OUTLIER 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.341 0.591 . . . . 0.0 111.874 176.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.488 ' CG ' ' H ' ' A' ' 81' ' ' ALA . 18.2 t70 176.69 -145.98 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.488 ' H ' ' CG ' ' A' ' 80' ' ' ASP . . . -66.28 -16.43 64.02 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -177.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -33.02 24.18 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 120.205 -0.598 . . . . 0.0 109.714 -170.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.62 -37.68 85.38 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 171.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.488 ' HE2' ' HA ' ' A' ' 84' ' ' LYS . 11.8 mmpt? -59.05 -59.24 5.79 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.937 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 48.9 t -64.9 -39.61 86.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.333 -176.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -68.35 -34.7 76.57 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.625 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.501 ' CD2' ' HG ' ' A' ' 64' ' ' LEU . 58.2 mt -67.8 -50.78 55.03 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.802 0.334 . . . . 0.0 110.305 174.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -66.35 -17.09 64.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.795 -176.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.37 -31.89 71.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.122 0.487 . . . . 0.0 109.9 172.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.538 ' O ' ' HB3' ' A' ' 102' ' ' GLU . . . -102.6 -49.04 1.22 Allowed Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.379 177.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.653 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 14.1 t0 -59.46 97.74 0.04 OUTLIER 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.022 0.439 . . . . 0.0 110.373 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.8 m -98.94 -8.89 24.84 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.25 0.548 . . . . 0.0 109.594 178.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -87.84 -19.87 26.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.839 -175.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.25 33.04 29.86 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 -173.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.71 ' OD1' ' HG2' ' A' ' 97' ' ' LYS . 3.2 p30 -95.7 -15.74 22.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.493 -0.354 . . . . 0.0 111.653 -175.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.83 27.78 52.65 Favored Glycine 0 N--CA 1.454 -0.155 0 C-N-CA 121.121 -0.562 . . . . 0.0 112.941 175.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.71 ' HG2' ' OD1' ' A' ' 95' ' ' ASP . 10.9 ptpt -148.38 178.13 8.85 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -178.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.639 ' O ' ' HB ' ' A' ' 59' ' ' VAL . 16.0 mm -103.32 108.02 23.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.019 0.437 . . . . 0.0 110.717 176.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -66.65 137.53 34.63 Favored Glycine 0 N--CA 1.436 -1.354 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 166.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 42.4 t -57.03 -48.76 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 116.997 0.398 . . . . 0.0 110.825 -176.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -69.36 -31.81 70.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.943 0.401 . . . . 0.0 110.438 176.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.538 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 35.4 mt-10 -63.5 -37.04 85.76 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.704 177.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.526 ' O ' HG13 ' A' ' 107' ' ' ILE . 41.0 t80 -65.05 -48.52 73.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.248 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -54.09 -39.49 63.7 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.952 177.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.08 -37.97 89.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.703 -0.248 . . . . 0.0 111.375 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.478 ' HE3' ' CD1' ' A' ' 103' ' ' PHE . 2.0 ptp -70.54 -24.93 62.89 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.556 -178.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 103' ' ' PHE . 59.9 mt -75.39 -34.1 29.35 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 CA-C-O 121.935 0.874 . . . . 0.0 109.521 -179.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -90.25 -8.72 50.29 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.363 -1.29 . . . . 0.0 111.144 -178.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.833 0 CA-C-O 118.488 -0.767 . . . . 0.0 110.971 179.555 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 111.91 -0.476 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.9 mt -53.66 -51.92 38.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 173.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.0 137.41 54.1 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.341 173.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.411 ' HB2' ' HB2' ' A' ' 11' ' ' ASP . 12.6 m-80 -94.4 114.49 26.54 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 175.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -51.67 -39.48 58.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.81 -178.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.93 -35.4 74.52 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.369 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.411 ' HB2' ' HB2' ' A' ' 8' ' ' ASN . 1.6 t0 -72.4 -48.72 39.26 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.349 0.595 . . . . 0.0 109.829 -177.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -55.23 -53.94 29.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.4 176.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 92.7 m -54.38 -34.85 62.05 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.741 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.492 ' HB1' ' HZ1' ' A' ' 33' ' ' LYS . . . -64.99 -45.88 83.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.185 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.51 ' HB1' ' CD ' ' A' ' 33' ' ' LYS . . . -60.33 -41.64 93.95 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.825 174.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.465 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 4.0 mm? -56.82 -45.16 82.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 177.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.58 -25.68 66.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.046 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.66 -43.64 22.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.861 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.465 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 22.7 p -78.75 -8.33 58.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.425 ' O ' ' HD2' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -65.25 -38.32 89.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.543 178.38 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.3 114.54 3.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.034 -178.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -60.65 130.14 45.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.506 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.03 -13.06 64.21 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.283 -177.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.1 t -126.8 49.37 2.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.642 0.734 . . . . 0.0 109.867 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.407 ' HB2' ' OE1' ' A' ' 82' ' ' GLU . 8.5 p90 -104.84 129.36 53.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.562 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.46 88.63 2.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.579 0.704 . . . . 0.0 110.719 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.603 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 3.6 t60 -68.35 -29.57 68.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.722 -177.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.431 ' O ' HG23 ' A' ' 32' ' ' THR . 65.4 tttp -65.61 -41.59 92.58 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 175.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.473 ' HA ' ' CG2' ' A' ' 32' ' ' THR . . . -62.37 -31.34 71.98 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.991 177.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.603 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 61.4 t80 -55.92 -50.25 71.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.618 174.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -63.58 -45.94 88.11 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.165 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.473 ' CG2' ' HA ' ' A' ' 29' ' ' ALA . 2.8 t -75.99 -22.73 55.53 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -174.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.51 ' CD ' ' HB1' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -81.48 -35.97 29.87 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 122.284 -0.26 . . . . 0.0 110.727 -179.028 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.5 m -86.61 -12.39 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-O 121.229 0.538 . . . . 0.0 110.52 177.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.08 30.15 43.45 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.379 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.459 ' HA ' ' CG ' ' A' ' 39' ' ' LYS . 9.7 tp -76.33 -29.12 57.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 111.147 -176.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.14 -17.0 62.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.891 0.377 . . . . 0.0 111.005 -177.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -108.76 26.24 10.79 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.527 ' HD2' ' OD2' ' A' ' 43' ' ' ASP . 38.2 mmtm -89.52 161.72 16.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.114 0.483 . . . . 0.0 111.251 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.0 m -79.53 150.33 73.1 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.045 -178.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -47.55 -55.05 4.3 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.117 2.544 . . . . 0.0 113.935 -176.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.451 ' O ' ' HB3' ' A' ' 45' ' ' LYS . . . -63.54 -30.59 71.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 0.0 111.381 -177.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.599 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 33.2 t70 -73.5 -46.56 47.16 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.97 0.414 . . . . 0.0 110.328 178.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.443 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 0.1 OUTLIER -63.08 -21.82 29.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.13 0.491 . . . . 0.0 110.209 174.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 3.7 tppp? -67.67 -43.88 79.15 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.15 175.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.704 ' O ' HG13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -69.59 -24.73 63.72 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.48 176.527 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.624 ' O ' HD12 ' A' ' 51' ' ' ILE . 98.4 t -63.78 -39.7 86.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 171.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.598 ' CG ' HG13 ' A' ' 100' ' ' VAL . 18.7 m-30 -61.03 -29.39 69.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.512 177.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.659 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 7.2 pt-20 -84.5 -15.38 46.13 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.003 176.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.704 HG13 ' O ' ' A' ' 46' ' ' LYS . 46.9 mt -71.02 -40.12 75.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.305 177.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.624 HD12 ' O ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -63.46 -26.89 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 120.091 -0.643 . . . . 0.0 109.542 177.175 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.486 ' HB2' HG23 ' A' ' 59' ' ' VAL . 32.9 t0 -86.09 72.45 10.42 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 175.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.406 ' OE1' ' HB3' ' A' ' 66' ' ' LEU . 6.0 tt0 -53.13 -38.3 62.56 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.592 0.711 . . . . 0.0 110.981 -177.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -77.09 -19.09 57.49 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.774 -178.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt 56.46 63.08 2.08 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.581 0.705 . . . . 0.0 111.282 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.461 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -123.79 5.53 8.78 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.804 -177.398 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 56' ' ' SER . 4.3 m-20 76.79 7.64 3.17 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 124.019 0.824 . . . . 0.0 110.619 -178.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -134.91 121.83 21.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.296 176.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.642 ' HB ' ' O ' ' A' ' 98' ' ' ILE . 84.8 t -103.19 111.4 32.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.306 -176.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -93.55 -175.5 3.8 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -77.99 -50.17 12.64 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 122.549 0.34 . . . . 0.0 110.871 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -65.32 -21.48 66.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.087 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.71 -37.48 82.31 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.242 171.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.594 ' HA ' ' HB3' ' A' ' 67' ' ' PHE . 0.2 OUTLIER -72.3 -20.26 61.53 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.596 -179.793 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.485 ' O ' HD22 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -64.23 -47.86 78.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.943 0.401 . . . . 0.0 110.547 175.046 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.406 ' HB3' ' OE1' ' A' ' 53' ' ' GLN . 1.9 mp -101.48 4.69 41.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.226 0.536 . . . . 0.0 111.441 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.594 ' HB3' ' HA ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -53.34 -32.6 49.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.46 172.788 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 1.9 mm? -66.12 -42.3 89.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.036 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -66.99 -20.33 65.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.032 0.444 . . . . 0.0 110.115 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -83.53 -28.7 28.46 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -78.51 -53.91 6.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.572 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.9 m -152.41 137.89 17.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.701 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.64 -25.95 67.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.813 -174.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -96.51 12.62 66.22 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.814 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.79 137.42 33.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.926 0.393 . . . . 0.0 110.707 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.556 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 30.5 mmt180 -75.97 138.01 40.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.225 -178.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.06 117.32 9.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.001 0.429 . . . . 0.0 110.263 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.471 ' HB3' ' HG3' ' A' ' 82' ' ' GLU . 75.5 mt -68.73 113.65 6.39 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.936 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.6 m -125.18 167.19 15.17 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.736 -171.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 63.73 -131.09 0.41 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.278 -0.873 . . . . 0.0 111.541 174.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.65 -26.03 64.21 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.216 -172.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.696 ' O ' ' HB2' ' A' ' 86' ' ' PHE . 11.3 tp10 -57.17 -50.39 72.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 177.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.901 ' O ' ' HB3' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -70.48 -51.22 30.58 Favored 'General case' 0 C--O 1.206 -1.223 0 C-N-CA 119.41 -0.916 . . . . 0.0 110.463 177.602 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -50.85 -53.89 28.49 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.321 -0.862 . . . . 0.0 111.45 -176.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.0 t -76.79 -49.02 24.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 120.921 0.391 . . . . 0.0 111.89 -175.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.696 ' HB2' ' O ' ' A' ' 82' ' ' GLU . 24.1 m-85 -87.14 -19.24 28.77 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -169.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.901 ' HB3' ' O ' ' A' ' 83' ' ' THR . 0.0 OUTLIER -80.7 -28.61 36.64 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 170.154 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -78.36 -16.17 57.95 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.5 171.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.6 -37.05 62.62 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.236 0.541 . . . . 0.0 110.544 176.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.634 ' O ' ' HB3' ' A' ' 102' ' ' GLU . . . -87.12 -50.87 3.52 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.233 176.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.489 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 31.4 t0 -60.32 98.74 0.06 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.393 0.616 . . . . 0.0 110.347 -178.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.5 m -92.23 -27.18 17.8 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.023 -171.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -86.94 -7.1 58.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.614 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 64.88 44.18 95.0 Favored Glycine 0 C--N 1.332 0.33 0 CA-C-N 115.218 -0.901 . . . . 0.0 113.119 173.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -96.55 -17.44 20.46 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 121.218 -0.193 . . . . 0.0 111.135 -175.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.02 30.01 5.58 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.16 -1.019 . . . . 0.0 112.961 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.559 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 15.7 ptmt -144.29 172.51 12.83 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.642 ' O ' ' HB ' ' A' ' 59' ' ' VAL . 1.8 mm -106.18 104.02 16.35 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 165.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.417 ' HA3' ' HG3' ' A' ' 102' ' ' GLU . . . -64.39 137.32 40.0 Favored Glycine 0 N--CA 1.427 -1.925 0 N-CA-C 108.739 -1.745 . . . . 0.0 108.739 168.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.598 HG13 ' CG ' ' A' ' 48' ' ' PHE . 3.2 t -55.93 -43.0 73.38 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 CA-C-O 121.348 0.594 . . . . 0.0 110.47 -179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -69.32 -36.94 77.46 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.342 175.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.634 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 21.6 mt-10 -62.74 -37.32 86.12 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.578 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.46 ' CE2' HD12 ' A' ' 107' ' ' ILE . 47.1 t80 -66.07 -46.39 77.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.803 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.35 -37.76 66.71 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.026 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.66 91.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.589 -0.306 . . . . 0.0 111.429 178.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.499 ' HE2' ' N ' ' A' ' 90' ' ' GLY . 2.9 ptp -72.28 -26.08 61.84 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.656 -177.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.46 HD12 ' CE2' ' A' ' 103' ' ' PHE . 54.9 mt -74.28 -35.18 39.33 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 CA-C-O 121.906 0.86 . . . . 0.0 109.263 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -94.02 -9.33 37.17 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.339 -1.301 . . . . 0.0 111.214 -174.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.632 -0.699 . . . . 0.0 111.026 -179.056 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 N-CA-C 112.18 -0.368 . . . . 0.0 112.18 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.444 ' O ' ' HE3' ' A' ' 39' ' ' LYS . 40.2 mm -65.23 -40.1 87.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 174.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.504 HD21 ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -138.07 144.34 40.89 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.842 178.453 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -86.34 106.61 17.51 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -48.9 -38.73 23.51 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.786 -176.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.0 88.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.688 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.32 -38.58 78.3 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 120.728 0.299 . . . . 0.0 111.321 -177.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.444 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.8 mp -59.55 -51.88 67.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 174.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.8 m -54.74 -36.48 64.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.256 176.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.71 -32.6 72.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.884 0.373 . . . . 0.0 111.192 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.12 -42.38 69.31 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 174.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 12' ' ' ILE . 4.5 mm? -59.09 -35.2 72.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.446 174.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.69 -33.68 75.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.358 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.35 -18.39 60.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.959 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 24' ' ' SER . 26.3 p -121.71 30.57 6.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.218 0.532 . . . . 0.0 110.444 177.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -77.79 -31.48 51.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.102 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.03 125.95 33.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.479 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.08 130.14 44.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.037 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.97 3.86 87.49 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.396 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.464 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 41.1 t -125.2 68.24 1.13 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.185 0.517 . . . . 0.0 109.866 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -125.11 144.33 50.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.074 -177.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -137.08 98.45 3.75 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 173.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.439 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 2.1 p80 -57.25 -32.36 66.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.695 -176.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.503 ' O ' HG23 ' A' ' 32' ' ' THR . 69.7 tttt -79.03 -43.09 24.96 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.193 -174.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.542 ' O ' ' HB2' ' A' ' 33' ' ' LYS . . . -56.69 -36.79 70.04 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.689 174.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.439 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 74.1 t80 -55.01 -55.11 34.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.631 175.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.404 ' CD2' ' HA ' ' A' ' 107' ' ' ILE . 16.7 m-85 -66.6 -43.74 84.01 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.648 -176.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 28' ' ' LYS . 9.8 t -73.07 -23.96 60.62 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.507 -176.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 75.3 tttt -74.79 -46.06 39.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.872 0.368 . . . . 0.0 110.23 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.5 m -84.13 -9.84 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.695 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.16 35.08 31.26 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.329 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.422 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -82.03 -32.76 30.33 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.646 -0.326 . . . . 0.0 111.193 -177.577 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.28 -17.77 64.95 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.266 0.555 . . . . 0.0 110.234 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.38 1.64 41.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.519 178.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.444 ' HE3' ' O ' ' A' ' 6' ' ' ILE . 38.0 mmtm -70.17 144.02 52.1 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.218 0.532 . . . . 0.0 111.184 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.5 m -79.26 161.63 67.07 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.454 -177.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -44.09 -46.45 11.18 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.165 2.577 . . . . 0.0 113.662 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.01 -44.54 96.51 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.003 0.43 . . . . 0.0 111.37 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.614 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 18.8 m-20 -64.53 -45.7 86.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.277 0.561 . . . . 0.0 109.712 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.423 HG23 ' CE1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -62.84 -32.83 57.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.214 179.405 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 2.9 tppp? -64.86 -44.78 88.63 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 120.677 0.275 . . . . 0.0 111.243 -178.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.633 ' O ' HG13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -67.76 -27.99 67.24 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.133 -0.627 . . . . 0.0 109.559 178.238 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 43' ' ' ASP . 93.2 t -65.67 -40.43 87.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.264 175.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.483 ' HA ' HD11 ' A' ' 51' ' ' ILE . 12.8 m-30 -55.29 -34.28 63.98 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.401 174.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -81.78 -15.94 52.62 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.081 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.633 HG13 ' O ' ' A' ' 46' ' ' LYS . 60.1 mt -73.41 -40.32 56.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 O-C-N 122.004 -0.435 . . . . 0.0 111.595 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.532 HD12 ' O ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -66.34 -19.18 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-O 121.641 0.734 . . . . 0.0 109.047 175.687 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.466 ' HB2' HG13 ' A' ' 59' ' ' VAL . 30.7 t0 -100.27 61.47 1.07 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.837 -1.074 . . . . 0.0 108.994 174.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.462 ' HA ' ' ND2' ' A' ' 70' ' ' ASN . 2.0 pt20 -53.64 -35.32 60.86 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.134 0.492 . . . . 0.0 111.392 -174.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.719 ' HB3' ' OE2' ' A' ' 63' ' ' GLU . 6.0 t70 -76.47 -18.97 58.5 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.849 -178.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.3 tptm 64.76 64.8 0.65 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 122.099 0.952 . . . . 0.0 111.493 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.459 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -117.75 1.16 12.14 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.108 -175.71 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 56' ' ' SER . 4.1 m-20 74.41 -1.41 3.08 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.754 0.822 . . . . 0.0 110.764 -176.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -139.3 129.08 24.74 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.721 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 0.7 OUTLIER -99.8 122.72 51.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.447 0.641 . . . . 0.0 110.316 -177.59 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -94.75 179.54 5.21 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.853 176.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -69.84 -40.92 75.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.789 0.328 . . . . 0.0 110.703 178.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -60.56 -30.64 69.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.326 178.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.719 ' OE2' ' HB3' ' A' ' 54' ' ' ASP . 49.4 mt-10 -73.82 -34.8 64.72 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.684 176.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.531 ' HG ' ' CD2' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -69.04 -27.1 65.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.995 0.426 . . . . 0.0 110.804 177.03 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.48 ' O ' HD23 ' A' ' 68' ' ' LEU . 11.4 mptt -62.86 -52.87 61.43 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.776 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.498 HD13 ' NE2' ' A' ' 69' ' ' GLN . 1.3 mm? -100.32 6.7 44.62 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 -178.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.422 ' CD1' HG23 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -49.44 -36.36 22.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.491 0.662 . . . . 0.0 109.3 170.331 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 2.3 mm? -62.67 -45.65 91.83 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.295 178.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.498 ' NE2' HD13 ' A' ' 66' ' ' LEU . 79.4 mt-30 -72.27 -8.37 54.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.762 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.462 ' ND2' ' HA ' ' A' ' 53' ' ' GLN . 64.5 t30 -95.66 -23.54 16.97 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -80.84 -48.19 12.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.137 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.5 m -150.3 144.05 25.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.717 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.64 -21.58 63.54 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -168.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -105.55 2.24 39.52 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.25 -0.976 . . . . 0.0 112.591 -177.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.09 142.89 56.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.03 0.443 . . . . 0.0 111.385 -176.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.524 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 21.7 mmt180 -82.31 147.74 28.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.259 -176.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.66 127.82 34.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.886 0.374 . . . . 0.0 110.94 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.4 mp -77.11 141.23 40.3 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.349 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.609 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 53.5 m -143.21 167.98 20.84 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.718 -0.219 . . . . 0.0 110.476 176.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 59.93 -130.85 0.97 Allowed 'General case' 0 C--O 1.236 0.342 0 O-C-N 123.432 0.458 . . . . 0.0 111.407 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.23 -33.15 73.86 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.191 -170.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.609 ' HG2' ' O ' ' A' ' 79' ' ' SER . 1.9 pm0 -67.4 -25.41 65.93 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.161 -175.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.588 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 1.5 m -78.48 -45.85 21.1 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.06 -0.656 . . . . 0.0 109.56 174.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -64.19 -46.18 85.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.348 -175.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.8 t -70.65 -37.81 70.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.81 0.338 . . . . 0.0 110.344 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -63.72 -36.55 84.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.473 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 83' ' ' THR . 97.7 mt -64.38 -51.19 64.5 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 174.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -62.23 -17.15 57.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.411 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.4 -31.51 72.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.773 0.321 . . . . 0.0 110.744 177.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -121.72 -43.36 0.42 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.495 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 24.6 t0 -66.79 112.94 4.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.951 0.405 . . . . 0.0 110.405 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.4 t -98.14 -7.7 29.01 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.06 -175.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.76 -21.23 18.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.579 -174.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 78.83 36.19 29.43 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.385 -177.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -79.2 -20.4 48.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.087 0.47 . . . . 0.0 110.166 -176.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.51 28.94 41.59 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 -171.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.721 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 6.8 ptmt -143.15 174.5 10.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.753 -0.723 . . . . 0.0 109.494 -171.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.615 ' H ' ' CG2' ' A' ' 59' ' ' VAL . 25.0 mm -115.14 105.31 18.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 167.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.41 ' HA3' ' HG3' ' A' ' 102' ' ' GLU . . . -58.55 137.21 50.41 Favored Glycine 0 N--CA 1.436 -1.358 0 N-CA-C 108.403 -1.879 . . . . 0.0 108.403 167.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.5 m -55.08 -46.71 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.113 0 CA-C-N 117.774 0.787 . . . . 0.0 111.57 -173.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -78.8 -17.56 55.54 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.275 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.41 ' HG3' ' HA3' ' A' ' 99' ' ' GLY . 25.9 mt-10 -68.83 -36.25 77.96 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 172.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.646 ' CE2' HD11 ' A' ' 107' ' ' ILE . 23.6 t80 -64.69 -48.58 74.18 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.086 178.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.63 -36.62 65.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.106 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.79 -36.95 83.58 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.529 0.196 . . . . 0.0 111.529 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.4 ptp -74.28 -24.56 59.27 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.705 -178.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.646 HD11 ' CE2' ' A' ' 103' ' ' PHE . 64.7 mt -78.81 -31.84 15.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.639 0.733 . . . . 0.0 109.794 -178.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.85 -12.61 41.38 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.728 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.735 -0.65 . . . . 0.0 111.413 -178.784 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.436 0 N-CA-C 112.399 -0.281 . . . . 0.0 112.399 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.0 mt -67.87 -34.78 69.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.434 ' C ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -138.97 157.93 45.12 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.347 175.592 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -100.96 137.58 39.15 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -53.82 -38.35 64.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.438 0.637 . . . . 0.0 109.527 174.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.07 -46.15 65.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.19 -177.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.411 ' OD1' ' HA ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -72.76 -41.41 65.12 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.06 0.457 . . . . 0.0 110.757 -174.282 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.425 HD12 HG22 ' A' ' 34' ' ' VAL . 1.4 tp -60.94 -39.26 81.48 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.995 177.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.3 m -75.9 -33.84 59.93 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.919 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.17 -51.64 68.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.877 0.37 . . . . 0.0 110.981 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.442 ' HB2' ' HG3' ' A' ' 33' ' ' LYS . . . -63.71 -44.29 94.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.813 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.671 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 88.8 mt -67.58 -19.02 65.2 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.489 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.66 -34.08 40.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.582 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.76 -34.55 58.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.461 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.671 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 29.4 p -94.09 26.37 3.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -78.93 -12.21 60.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.232 0.539 . . . . 0.0 109.684 177.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.26 124.52 27.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.152 176.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -57.82 113.23 1.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.605 -175.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.78 0.22 66.74 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.049 -0.595 . . . . 0.0 112.562 176.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.1 m -113.36 79.61 1.26 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.1 0.476 . . . . 0.0 110.668 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -115.35 110.23 19.07 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.89 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.45 ' OD2' ' HB2' ' A' ' 29' ' ' ALA . 5.6 p-10 -83.15 80.74 8.96 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.073 0.464 . . . . 0.0 109.998 178.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.447 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 36.1 p-80 -53.34 -46.58 69.56 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.948 -173.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.405 ' O ' HG22 ' A' ' 32' ' ' THR . 84.2 tttt -73.37 -48.93 30.13 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.817 -173.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.502 ' HA ' ' CG2' ' A' ' 32' ' ' THR . . . -61.64 -31.0 71.07 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.043 176.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.684 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 80.4 t80 -54.7 -53.38 55.72 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.315 0.384 . . . . 0.0 110.74 177.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.413 ' CD2' ' HA ' ' A' ' 107' ' ' ILE . 56.1 m-85 -67.22 -34.53 77.68 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -176.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.502 ' CG2' ' HA ' ' A' ' 29' ' ' ALA . 4.9 t -81.76 -24.61 35.94 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.69 -178.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 30' ' ' PHE . 12.9 ptmt -85.74 -21.67 28.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.41 0.624 . . . . 0.0 109.779 176.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.684 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -90.75 -16.95 8.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.373 -179.755 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.26 8.51 64.38 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.902 -0.666 . . . . 0.0 113.09 176.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 16.1 tp -87.1 6.99 29.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.213 0.53 . . . . 0.0 110.577 -177.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.35 -14.42 26.9 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 172.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -124.42 31.93 5.62 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.635 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.449 ' HD2' ' C ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -83.97 179.54 7.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.754 178.79 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 m -101.03 153.39 37.76 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 171.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -45.55 -46.28 14.9 Favored 'Trans proline' 0 C--O 1.237 0.46 0 C-N-CA 123.211 2.607 . . . . 0.0 114.014 -175.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.94 -32.97 74.69 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.59 ' O ' HG22 ' A' ' 47' ' ' VAL . 24.6 m-20 -63.31 -48.14 79.3 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.123 0.487 . . . . 0.0 109.729 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.443 HG21 ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -63.64 -27.98 44.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.493 179.441 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 20.8 tptm -64.22 -46.45 83.83 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.939 0.399 . . . . 0.0 110.595 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.677 ' O ' HG13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -72.12 -24.1 61.42 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.401 179.533 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 43' ' ' ASP . 59.8 t -67.35 -35.97 75.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 173.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.567 ' CG ' HG13 ' A' ' 100' ' ' VAL . 17.5 m-30 -58.21 -38.67 77.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.751 174.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 4.8 pt-20 -77.29 -14.04 59.82 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.662 178.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.677 HG13 ' O ' ' A' ' 46' ' ' LYS . 60.0 mt -71.7 -46.01 63.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 119.132 -0.461 . . . . 0.0 112.23 177.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.561 HD11 ' O ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -61.51 -20.61 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-O 121.458 0.647 . . . . 0.0 109.662 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.445 ' CG ' ' H ' ' A' ' 56' ' ' SER . 15.7 t0 -104.16 76.8 1.37 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.083 -0.962 . . . . 0.0 108.695 173.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.537 ' OE1' ' HB2' ' A' ' 66' ' ' LEU . 18.6 pt20 -56.4 -37.13 69.72 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.35 0.595 . . . . 0.0 110.489 -176.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.739 ' HB3' ' OE2' ' A' ' 63' ' ' GLU . 6.0 t70 -79.03 -19.81 50.53 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.107 176.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt 56.97 63.43 1.93 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 122.41 1.1 . . . . 0.0 110.901 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.495 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -92.22 2.66 56.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 113.977 -1.465 . . . . 0.0 110.098 179.391 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' A' ' 56' ' ' SER . 9.1 m-20 75.04 3.64 4.16 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.761 -171.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -148.33 129.78 14.84 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.259 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.629 ' CG2' ' H ' ' A' ' 98' ' ' ILE . 0.9 OUTLIER -88.94 126.91 41.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.72 0.771 . . . . 0.0 110.114 -175.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -93.3 161.64 14.32 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.141 176.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -69.04 -40.31 78.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 118.465 0.575 . . . . 0.0 110.668 -176.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -65.36 -27.09 68.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.042 0.449 . . . . 0.0 110.05 178.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.739 ' OE2' ' HB3' ' A' ' 54' ' ' ASP . 96.5 mt-10 -72.15 -45.02 62.14 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.136 174.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.583 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 0.3 OUTLIER -67.62 -18.95 65.16 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.288 0.566 . . . . 0.0 110.591 -178.791 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.519 ' O ' HD13 ' A' ' 68' ' ' LEU . 10.3 mptt -63.56 -53.63 48.73 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.198 0.523 . . . . 0.0 110.213 173.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.537 ' HB2' ' OE1' ' A' ' 53' ' ' GLN . 36.2 mt -100.82 5.82 43.59 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.838 -174.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.583 ' HD1' ' O ' ' A' ' 64' ' ' LEU . 0.5 OUTLIER -58.92 -26.37 64.28 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 176.336 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' ' 65' ' ' LYS . 2.7 mt -63.14 -45.0 94.0 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.385 178.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.558 ' HA ' ' O ' ' A' ' 72' ' ' SER . 40.1 mt-30 -72.79 -14.69 61.58 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.438 ' HB3' ' O ' ' A' ' 67' ' ' PHE . 49.8 t30 -80.32 -25.95 39.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.067 176.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -89.59 -47.46 7.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.452 176.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.558 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 71.1 m -147.23 128.39 14.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.024 178.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.42 -22.56 66.23 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -173.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -97.3 48.8 1.53 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.575 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -122.1 150.88 41.54 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.693 -0.298 . . . . 0.0 111.225 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.438 ' O ' HD12 ' A' ' 68' ' ' LEU . 1.4 mpt_? -96.27 136.41 36.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.223 178.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.478 ' HA ' ' CD1' ' A' ' 68' ' ' LEU . . . -78.79 125.12 28.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.86 0.362 . . . . 0.0 111.211 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -76.42 150.13 36.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.721 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 80' ' ' ASP . 49.6 m -144.3 145.79 32.22 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.955 178.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 79' ' ' SER . 8.1 m-20 72.12 -126.84 0.05 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.632 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.2 -30.72 71.27 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -168.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -71.67 -40.24 69.74 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.092 -177.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.7 m -73.62 -37.23 65.45 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 174.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -55.99 -59.32 5.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.069 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.16 -39.98 85.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.172 -177.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -65.77 -37.97 87.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.407 ' CD2' HD11 ' A' ' 64' ' ' LEU . 77.3 mt -64.22 -48.0 77.52 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 174.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -65.49 -16.84 64.06 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -176.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.3 -34.66 72.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.37 0.605 . . . . 0.0 109.989 173.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.484 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -106.52 -53.82 0.71 Allowed Glycine 0 N--CA 1.443 -0.896 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.168 176.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.671 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 20.9 t0 -59.92 101.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 122.889 0.476 . . . . 0.0 110.474 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 17.4 t -97.02 -24.02 15.99 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.165 0.507 . . . . 0.0 110.496 -175.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -86.85 -9.36 55.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.026 -175.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.64 53.03 4.18 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 121.125 -0.56 . . . . 0.0 114.172 171.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.494 ' OD1' ' HG2' ' A' ' 97' ' ' LYS . 3.5 p30 -108.88 -22.31 12.25 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.92 0.36 . . . . 0.0 111.739 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.15 25.66 21.15 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.674 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.671 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 11.1 ptmt -136.86 174.95 10.07 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 177.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.629 ' H ' ' CG2' ' A' ' 59' ' ' VAL . 11.8 mm -109.0 108.38 25.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 C-N-CA 120.085 -0.646 . . . . 0.0 109.949 172.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -59.5 137.29 50.03 Favored Glycine 0 N--CA 1.431 -1.667 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 167.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.567 HG13 ' CG ' ' A' ' 48' ' ' PHE . 15.2 t -56.84 -38.92 61.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 CA-C-O 121.381 0.61 . . . . 0.0 110.675 -177.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -73.13 -33.32 65.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.225 175.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.484 ' HB3' ' C ' ' A' ' 90' ' ' GLY . 6.2 mm-40 -59.78 -40.9 89.81 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.081 175.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.599 ' CE2' HD13 ' A' ' 107' ' ' ILE . 22.5 t80 -64.51 -52.33 58.37 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.94 -177.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -53.8 -37.97 58.52 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.169 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.38 -33.87 71.92 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.9 ptp -74.04 -26.08 60.21 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.723 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.599 HD13 ' CE2' ' A' ' 103' ' ' PHE . 78.4 mt -74.56 -43.24 48.54 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.584 0 CA-C-O 122.038 0.923 . . . . 0.0 109.228 -177.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.453 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 0.3 OUTLIER -81.41 -27.28 34.83 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.04 -1.436 . . . . 0.0 109.986 179.642 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.148 -0.93 . . . . 0.0 111.279 179.513 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.331 0 CA-C-O 120.401 -0.111 . . . . 0.0 113.169 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.2 mm -65.02 -31.28 53.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.689 0.757 . . . . 0.0 109.388 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.438 ' O ' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -144.49 145.29 31.79 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.14 175.766 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -93.36 110.18 21.73 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -52.37 -37.09 55.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.035 -176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.13 96.57 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.631 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -69.88 -45.37 67.79 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.35 0.595 . . . . 0.0 109.894 -177.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.438 HG12 ' CD1' ' A' ' 71' ' ' PHE . 1.8 mp -55.35 -52.96 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.228 174.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.3 m -57.91 -32.48 67.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.517 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.48 -53.05 61.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.824 0.345 . . . . 0.0 110.74 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.484 ' HB1' ' CD ' ' A' ' 33' ' ' LYS . . . -58.59 -38.55 78.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.215 175.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.25 -41.44 88.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.862 0.363 . . . . 0.0 110.93 176.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.2 -23.0 65.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.871 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.5 -29.76 30.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.346 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.7 p -110.92 30.37 6.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.16 0.505 . . . . 0.0 111.506 -178.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -82.96 18.07 1.74 Allowed 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 120.979 0.419 . . . . 0.0 111.073 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.83 130.89 20.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.347 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.35 131.72 46.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.989 0.423 . . . . 0.0 109.955 178.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.79 -24.07 33.62 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -170.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.2 t -109.83 38.55 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 176.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.577 ' HB2' ' OE2' ' A' ' 82' ' ' GLU . 22.7 p90 -96.53 122.22 39.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.858 -177.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.38 83.54 1.97 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.586 0.708 . . . . 0.0 110.529 177.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.545 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 6.1 p-80 -68.93 -31.98 71.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.532 -178.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.493 ' O ' HG21 ' A' ' 32' ' ' THR . 65.1 tttp -66.84 -41.61 87.12 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.018 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.461 ' HA ' ' CG2' ' A' ' 32' ' ' THR . . . -59.65 -32.52 70.53 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.374 175.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.638 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 83.5 t80 -57.24 -52.5 65.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.064 177.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -68.06 -37.98 81.91 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.504 -177.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.493 HG21 ' O ' ' A' ' 28' ' ' LYS . 8.2 t -79.62 -26.14 41.24 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -174.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -77.34 -28.64 53.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.465 0.65 . . . . 0.0 109.332 176.145 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.638 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -94.01 -21.99 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.807 -169.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.55 22.35 34.43 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.298 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.483 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 10.0 tp -84.31 -20.27 32.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.686 0.279 . . . . 0.0 111.328 -176.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.91 -13.6 59.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.903 0.383 . . . . 0.0 111.121 -176.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -113.97 38.01 3.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.312 0.577 . . . . 0.0 110.038 176.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 48.9 mmtt -94.89 158.52 15.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.527 0.679 . . . . 0.0 112.436 -176.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.9 m -89.27 163.51 33.71 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.178 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -48.4 -50.54 11.99 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.221 2.614 . . . . 0.0 113.897 -175.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.09 -34.77 78.31 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.897 0.38 . . . . 0.0 111.68 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.566 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 1.3 m-20 -67.95 -50.65 54.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.348 0.594 . . . . 0.0 109.411 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.4 mm -66.79 -28.47 43.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.98 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 21.3 tptm -59.86 -48.33 82.14 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.342 0.591 . . . . 0.0 110.797 177.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.696 ' O ' HG13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -73.87 -20.71 60.34 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.004 179.213 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.559 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 73.6 t -68.31 -39.4 80.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.004 0.43 . . . . 0.0 109.842 172.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.585 ' CG ' HG12 ' A' ' 100' ' ' VAL . 19.8 m-30 -52.99 -41.35 64.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.54 173.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.665 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 7.2 pt-20 -79.95 -14.94 58.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.27 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.696 HG13 ' O ' ' A' ' 46' ' ' LYS . 66.0 mt -67.06 -49.32 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.679 176.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.639 ' HB ' HG12 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -62.3 -36.9 76.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 177.77 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -83.85 64.64 8.19 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.301 176.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.491 HE21 ' HA ' ' A' ' 63' ' ' GLU . 15.8 pt20 -57.58 -30.46 65.29 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.407 0.622 . . . . 0.0 110.854 -173.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -80.85 -19.62 44.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.811 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.8 tptp 59.8 63.77 1.42 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 122.899 0.48 . . . . 0.0 111.377 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.39 13.4 3.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.13 -177.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.3 t70 74.28 -2.96 2.66 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.669 0.788 . . . . 0.0 111.435 178.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -118.93 138.68 52.61 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 173.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.639 HG12 ' HB ' ' A' ' 51' ' ' ILE . 43.3 t -129.1 88.42 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -174.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.516 ' HG2' ' H ' ' A' ' 61' ' ' GLU . 21.9 tt0 -87.32 172.89 9.52 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 122.461 -0.149 . . . . 0.0 110.9 -176.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.516 ' H ' ' HG2' ' A' ' 60' ' ' GLU . 40.2 tt0 -57.49 -43.62 84.26 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -175.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -55.9 -30.62 61.87 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.907 0.384 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.508 ' O ' ' HB3' ' A' ' 67' ' ' PHE . 36.1 mt-10 -69.78 -39.91 76.35 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.759 177.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.551 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 3.5 mp -69.82 -18.91 63.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.89 0.376 . . . . 0.0 111.729 178.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.629 ' O ' HD13 ' A' ' 68' ' ' LEU . 1.5 mptm? -65.41 -49.15 70.31 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.075 0.465 . . . . 0.0 110.19 174.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.3 mt -104.09 3.34 33.05 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -177.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.551 ' HD1' ' O ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -65.91 -26.02 67.42 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 175.919 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.629 HD13 ' O ' ' A' ' 65' ' ' LYS . 1.6 mt -67.73 -38.82 84.08 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 114.07 -1.423 . . . . 0.0 109.911 176.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 72' ' ' SER . 19.5 mm-40 -69.2 -17.33 63.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.121 177.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -80.42 -41.52 24.37 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 173.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.438 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -62.04 -48.62 79.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.335 176.752 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 47.9 t -146.87 137.3 23.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.51 177.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.4 -1.95 29.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.739 -177.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -118.75 28.88 6.53 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.952 177.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.41 158.98 16.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.028 0.442 . . . . 0.0 111.172 -177.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.404 ' O ' HD12 ' A' ' 68' ' ' LEU . 34.2 mmt180 -102.73 142.96 33.01 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.28 118.15 17.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.087 0.47 . . . . 0.0 110.937 -178.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.96 152.28 44.9 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.733 176.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.5 m -145.46 164.39 31.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.011 0.434 . . . . 0.0 111.843 -173.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 56.55 -131.55 1.63 Allowed 'General case' 0 C--O 1.237 0.412 0 CA-C-N 114.969 -1.014 . . . . 0.0 112.417 172.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.14 -26.69 68.46 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.388 -170.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.577 ' OE2' ' HB2' ' A' ' 25' ' ' PHE . 4.9 tp10 -63.41 -65.46 0.68 Allowed 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.582 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -60.68 -31.61 70.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.59 0.233 . . . . 0.0 110.971 -176.594 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.521 ' HZ3' ' HB2' ' A' ' 84' ' ' LYS . 0.1 OUTLIER -68.8 -51.71 37.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.808 0.337 . . . . 0.0 110.968 -177.107 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 99.6 t -71.28 -36.38 61.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.201 0.524 . . . . 0.0 110.064 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -62.7 -35.56 80.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.469 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 83' ' ' THR . 53.1 mt -61.02 -47.96 83.99 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.737 0.303 . . . . 0.0 110.307 172.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -69.57 -19.28 63.68 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -176.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.64 -26.0 66.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.142 0.496 . . . . 0.0 110.12 173.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.561 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -120.23 8.84 11.22 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.956 178.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 41.2 t0 -107.67 99.04 8.56 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 167.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.2 m -93.46 -21.52 19.44 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.235 0.54 . . . . 0.0 110.714 -174.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -95.25 -17.55 21.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.38 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.11 52.1 4.74 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.851 175.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -106.16 -2.69 22.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.554 0.216 . . . . 0.0 111.191 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.34 30.15 10.34 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 120.775 -0.726 . . . . 0.0 113.357 173.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 11.5 pttm -156.93 170.75 21.79 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -174.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.473 HG12 HD21 ' A' ' 87' ' ' LEU . 20.0 mm -89.16 124.27 41.82 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 169.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.42 ' HA3' ' HG3' ' A' ' 102' ' ' GLU . . . -85.73 136.09 13.99 Favored Glycine 0 N--CA 1.433 -1.558 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 172.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.585 HG12 ' CG ' ' A' ' 48' ' ' PHE . 2.9 t -56.48 -49.87 75.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-O 120.859 0.362 . . . . 0.0 110.682 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -66.65 -29.89 70.03 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.135 0.493 . . . . 0.0 110.828 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.561 ' HB2' ' O ' ' A' ' 90' ' ' GLY . 13.0 mt-10 -77.27 -33.14 55.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.77 -176.144 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.561 ' O ' ' HB3' ' A' ' 106' ' ' MET . 47.0 t80 -72.78 -35.04 67.34 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 122.846 0.458 . . . . 0.0 110.42 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.35 -47.52 90.39 Favored Glycine 0 C--O 1.237 0.324 0 C-N-CA 120.169 -1.015 . . . . 0.0 110.92 174.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.89 -23.91 66.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.255 -0.473 . . . . 0.0 110.253 175.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.561 ' HB3' ' O ' ' A' ' 103' ' ' PHE . 10.9 ttm -66.26 -48.9 68.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.296 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.473 HD12 ' CE2' ' A' ' 103' ' ' PHE . 45.5 mt -69.99 -34.39 59.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.968 0.89 . . . . 0.0 109.263 -174.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.45 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 4.9 tmmm? -77.96 -25.26 48.09 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.271 -1.331 . . . . 0.0 110.93 -178.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.441 -0.79 . . . . 0.0 111.369 -178.017 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.183 0 N-CA-C 113.18 0.032 . . . . 0.0 113.18 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.0 mt -68.31 -38.23 79.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.823 0.82 . . . . 0.0 108.835 172.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.443 ' C ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -136.79 147.72 46.79 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.3 178.454 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -101.09 114.35 28.21 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.714 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.65 -29.42 64.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.754 -176.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.76 -41.48 95.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.187 176.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.78 -40.15 79.81 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.012 0.434 . . . . 0.0 110.495 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.485 HG12 ' CE2' ' A' ' 71' ' ' PHE . 1.8 mp -59.41 -47.09 91.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.908 174.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.4 m -62.28 -36.27 81.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.892 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.83 -52.99 62.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.988 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.87 82.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.592 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.411 HD11 ' CB ' ' A' ' 75' ' ' ALA . 39.4 mt -70.46 -42.57 71.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.525 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.67 -17.14 61.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.108 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.76 -33.83 71.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.037 0.446 . . . . 0.0 110.439 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 24' ' ' SER . 35.3 m -127.08 41.96 3.42 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.826 -174.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -81.37 53.73 2.14 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.073 0.463 . . . . 0.0 111.712 -176.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.15 139.66 17.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.494 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.53 122.51 14.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.401 178.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.547 ' H ' ' CD ' ' A' ' 82' ' ' GLU . . . 99.49 -5.56 58.75 Favored Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.544 -177.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.463 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 21.6 t -118.28 -16.59 9.65 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -175.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -56.94 121.45 9.95 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.95 0.405 . . . . 0.0 111.834 -176.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -105.8 93.89 4.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.88 178.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -61.05 -36.27 79.13 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.816 0.817 . . . . 0.0 110.796 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.487 ' HG3' ' CE2' ' A' ' 31' ' ' PHE . 87.0 tttt -76.21 -49.53 16.91 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 114.617 -1.174 . . . . 0.0 110.027 -175.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.06 -34.79 66.26 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.219 176.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.661 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 91.9 t80 -57.34 -59.55 4.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.071 177.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.487 ' CE2' ' HG3' ' A' ' 28' ' ' LYS . 1.2 p90 -60.28 -37.52 80.73 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.309 0.576 . . . . 0.0 111.38 -174.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.469 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 11.2 t -87.22 -29.12 21.95 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.588 -169.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -81.17 -30.21 34.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.797 0.808 . . . . 0.0 109.547 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.661 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -78.19 -35.57 20.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 114.185 -1.37 . . . . 0.0 111.261 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.71 16.07 27.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.647 -177.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.441 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 11.5 tp -74.26 -15.14 60.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.13 0.49 . . . . 0.0 110.367 -175.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.509 ' HA ' HG22 ' A' ' 107' ' ' ILE . . . -76.31 -5.39 46.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.543 -178.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -118.62 29.31 7.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.713 ' HD3' ' OD2' ' A' ' 43' ' ' ASP . 11.3 mmpt? -84.06 135.59 34.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.917 0.389 . . . . 0.0 110.156 178.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.2 m -70.31 156.5 91.77 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.119 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -45.42 -53.94 4.94 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.109 2.54 . . . . 0.0 113.769 -177.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.409 ' O ' ' HB3' ' A' ' 45' ' ' LYS . . . -69.08 -26.56 64.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.296 0.57 . . . . 0.0 111.229 -178.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.713 ' OD2' ' HD3' ' A' ' 39' ' ' LYS . 25.1 t0 -74.91 -37.04 62.18 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.299 0.571 . . . . 0.0 109.534 178.067 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.424 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 4.1 mm -66.7 -24.18 32.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.892 170.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.613 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 4.1 tppp? -69.63 -36.05 75.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.671 177.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.604 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -74.93 -22.33 58.66 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 119.447 -0.901 . . . . 0.0 109.403 173.679 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.562 ' O ' HD13 ' A' ' 51' ' ' ILE . 95.5 t -68.81 -33.82 61.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 171.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.613 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -51.55 -49.31 62.28 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.895 168.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -61.85 -21.17 64.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.65 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.544 ' HB ' ' O ' ' A' ' 47' ' ' VAL . 64.9 mt -73.16 -54.4 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.209 175.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.619 ' HB ' HG12 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -67.65 -30.57 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 118.804 0.729 . . . . 0.0 109.345 177.858 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -84.15 74.32 10.3 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.427 176.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -56.18 -36.87 68.84 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.448 0.642 . . . . 0.0 110.761 -176.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -82.47 -19.19 39.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.845 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.498 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 52.6 tptt 59.12 67.69 0.89 Allowed 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 121.929 0.871 . . . . 0.0 112.139 172.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.1 p -142.05 23.53 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.904 176.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.1 t70 78.54 -1.46 2.44 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.907 0.883 . . . . 0.0 111.509 174.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -121.98 121.01 36.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.864 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.619 HG12 ' HB ' ' A' ' 51' ' ' ILE . 77.9 t -107.56 96.35 4.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.779 0.323 . . . . 0.0 111.202 -176.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.416 ' O ' HD13 ' A' ' 64' ' ' LEU . 45.0 mt-10 -93.14 176.13 6.52 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.427 ' CD ' ' HZ3' ' A' ' 84' ' ' LYS . 7.4 tt0 -70.82 -39.38 73.08 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -175.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -58.49 -31.61 68.02 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 67' ' ' PHE . 44.4 mt-10 -69.2 -55.21 11.26 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.243 173.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.508 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 0.5 OUTLIER -60.17 -18.53 48.63 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -176.709 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.476 ' O ' HD13 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -68.44 -49.38 60.36 Favored 'General case' 0 N--CA 1.435 -1.224 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.286 174.402 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 30.9 mt -103.59 -1.02 28.9 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -175.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.508 ' HD1' ' O ' ' A' ' 64' ' ' LEU . 1.5 p90 -59.86 -29.36 68.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.776 0.798 . . . . 0.0 109.058 -176.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -67.59 -45.34 75.8 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.283 -179.704 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -74.18 -8.09 54.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.018 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -91.58 -32.55 15.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.312 173.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.485 ' CE2' HG12 ' A' ' 12' ' ' ILE . 5.9 t80 -72.82 -51.12 20.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.558 178.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.8 m -141.27 151.19 43.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.108 0.48 . . . . 0.0 110.771 -178.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.65 -20.98 49.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.774 -175.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -98.16 25.12 28.98 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.03 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.411 ' CB ' HD11 ' A' ' 16' ' ' LEU . . . -95.56 150.2 20.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.974 0.416 . . . . 0.0 111.393 -178.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -107.46 138.83 42.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.777 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -78.89 125.88 29.96 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 176.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.3 mp -77.3 150.78 35.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.786 -178.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.446 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 25.2 m -143.08 158.93 43.15 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.986 176.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.435 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 9.8 m-20 63.06 -140.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.501 0.501 . . . . 0.0 111.246 176.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.29 -20.22 65.28 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -171.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.547 ' CD ' ' H ' ' A' ' 23' ' ' GLY . 6.0 mm-40 -60.94 -53.47 56.83 Favored 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -177.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.576 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 1.4 m -64.71 -36.48 84.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.418 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 80' ' ' ASP . 11.6 mmpt? -58.44 -58.94 6.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.929 0.395 . . . . 0.0 110.439 -179.037 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.7 -36.2 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.74 -178.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -58.89 -42.28 89.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.21 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 83' ' ' THR . 96.9 mt -70.06 -50.36 41.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.311 176.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -58.65 -22.52 56.95 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.73 -31.46 66.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.068 0.461 . . . . 0.0 110.68 176.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.429 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -118.22 -50.38 0.34 Allowed Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.883 178.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.473 ' HA ' ' CD ' ' A' ' 102' ' ' GLU . 24.1 t0 -60.29 103.97 0.28 Allowed 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.4 m -95.87 -14.09 23.45 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.131 0.491 . . . . 0.0 110.029 -173.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.08 -24.55 47.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.735 177.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 73.76 25.24 72.48 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.843 -174.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.457 ' OD2' ' HB3' ' A' ' 97' ' ' LYS . 1.5 p-10 -87.13 -9.02 56.36 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.513 -0.344 . . . . 0.0 110.794 -172.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.82 29.34 18.6 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.335 -0.936 . . . . 0.0 112.517 174.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.457 ' HB3' ' OD2' ' A' ' 95' ' ' ASP . 0.0 OUTLIER -142.84 156.83 45.01 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -177.251 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.557 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 14.4 mm -102.4 101.08 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.574 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.046 172.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.91 139.47 42.87 Favored Glycine 0 N--CA 1.432 -1.575 0 N-CA-C 107.716 -2.154 . . . . 0.0 107.716 162.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.425 ' CG2' ' HB2' ' A' ' 48' ' ' PHE . 97.4 t -62.44 -39.56 84.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 CA-C-N 117.755 0.778 . . . . 0.0 110.691 -174.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -63.07 -35.07 79.04 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.087 172.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.473 ' CD ' ' HA ' ' A' ' 91' ' ' ASP . 14.2 mt-10 -66.09 -41.07 91.14 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.94 176.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.557 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . 14.6 t80 -64.55 -46.55 82.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.378 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.48 -35.92 74.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.799 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.63 -22.57 63.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.516 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 8.1 ptp -87.63 -25.02 23.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.166 0.508 . . . . 0.0 109.862 177.148 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.509 HG22 ' HA ' ' A' ' 37' ' ' ALA . 85.1 mt -79.57 -42.21 22.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.863 0.84 . . . . 0.0 109.409 -178.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.475 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 0.9 OUTLIER -83.61 -30.17 27.15 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.568 -1.196 . . . . 0.0 109.764 179.568 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.136 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.981 -176.766 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.0 mt -58.46 -40.56 78.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.51 0.672 . . . . 0.0 109.385 174.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.67 150.64 29.87 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.66 175.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -101.12 108.32 19.97 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -49.09 -38.27 24.1 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.423 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.27 -46.94 81.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.421 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.2 -37.95 78.37 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.938 0.399 . . . . 0.0 110.989 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.24 -47.21 94.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.752 174.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.6 m -58.95 -36.99 75.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.143 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.27 -47.53 83.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.199 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.36 -41.31 98.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.089 0.471 . . . . 0.0 110.302 177.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.52 -19.59 65.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.158 178.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.71 -31.07 36.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.026 0.441 . . . . 0.0 110.51 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.43 -43.66 26.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.317 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.465 ' HB3' ' OE1' ' A' ' 82' ' ' GLU . 36.6 m -89.45 17.51 6.18 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.139 -177.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -74.38 -42.42 59.31 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.23 118.2 17.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.745 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -60.28 122.41 14.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.93 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.12 -26.28 14.13 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -175.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.8 m -96.97 48.86 1.06 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.351 0.596 . . . . 0.0 109.986 178.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.424 ' CE1' HG12 ' A' ' 85' ' ' VAL . 3.8 p90 -90.66 131.57 36.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.907 -174.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -138.9 91.85 2.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.882 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -61.43 -31.59 71.54 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.637 0.732 . . . . 0.0 109.899 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.589 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 88.7 tttt -68.22 -47.12 68.7 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.236 -177.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.22 -38.63 71.32 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.384 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -61.42 -54.35 44.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.081 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.599 ' CE1' ' HB ' ' A' ' 32' ' ' THR . 1.8 p90 -65.91 -42.46 90.13 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.935 0.398 . . . . 0.0 111.471 -173.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.599 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 5.8 t -87.1 -21.73 25.83 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -168.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -74.7 -48.59 25.1 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.032 0.444 . . . . 0.0 110.469 177.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 m -78.48 -5.06 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.85 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.824 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.459 ' O ' ' HG2' ' A' ' 39' ' ' LYS . . . 71.16 34.57 64.46 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.45 -0.796 . . . . 0.0 112.318 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.465 HD11 ' HG3' ' A' ' 39' ' ' LYS . 22.0 tp -77.1 -29.41 54.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.784 0.326 . . . . 0.0 110.738 -177.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.516 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . . . -69.82 -21.51 63.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.021 0.438 . . . . 0.0 110.357 179.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.67 23.91 9.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.593 177.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.465 ' HG3' HD11 ' A' ' 36' ' ' LEU . 43.7 mmtm -97.16 150.26 21.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.101 0.477 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.403 ' OG ' ' HD2' ' A' ' 41' ' ' PRO . 8.5 t -80.44 151.3 71.82 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.426 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.403 ' HD2' ' OG ' ' A' ' 40' ' ' SER . 43.4 Cg_exo -38.91 -50.36 2.59 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.565 2.844 . . . . 0.0 114.296 -178.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.5 -40.22 78.19 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.584 ' O ' HG21 ' A' ' 47' ' ' VAL . 25.1 m-20 -65.97 -49.49 67.7 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.29 0.566 . . . . 0.0 109.565 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.9 mt -67.52 -26.98 36.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.219 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 25.2 mmtp -61.61 -45.76 92.71 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.793 0.33 . . . . 0.0 111.232 176.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -72.69 -24.74 61.05 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.019 179.32 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.598 ' O ' HD12 ' A' ' 51' ' ' ILE . 60.9 t -67.84 -33.68 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 173.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.66 ' CG ' HG13 ' A' ' 100' ' ' VAL . 20.6 m-30 -57.05 -40.02 75.99 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.342 0.592 . . . . 0.0 110.12 172.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.58 -24.08 66.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.993 177.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.517 ' CD1' ' HA ' ' A' ' 47' ' ' VAL . 45.7 mt -70.9 -45.13 74.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.598 HD12 ' O ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -64.56 -24.8 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 176.85 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -87.07 62.87 7.6 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.236 173.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.96 -47.33 52.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.8 0.81 . . . . 0.0 109.915 -178.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -78.29 -15.03 59.16 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.606 -177.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm 59.29 64.63 1.32 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.98 0.895 . . . . 0.0 111.033 -178.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.453 ' C ' ' H ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -110.88 3.76 19.17 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.57 -1.196 . . . . 0.0 110.692 -173.713 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 56' ' ' SER . 31.9 m-20 72.47 -2.41 2.63 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.805 0.842 . . . . 0.0 109.826 -171.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.453 ' H ' ' C ' ' A' ' 56' ' ' SER . 95.8 m-85 -144.96 140.36 28.16 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.656 -1.156 . . . . 0.0 108.107 175.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.799 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 0.8 OUTLIER -99.26 126.67 52.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -179.726 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -91.89 172.72 8.27 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.595 175.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.88 -44.21 93.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.676 0.274 . . . . 0.0 110.485 177.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -65.83 -27.63 68.39 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.288 0.566 . . . . 0.0 110.006 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 67' ' ' PHE . 32.5 mt-10 -66.24 -37.53 85.73 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.273 174.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.579 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -70.65 -26.62 63.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.048 0.452 . . . . 0.0 110.829 178.567 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.656 ' O ' HD13 ' A' ' 68' ' ' LEU . 1.4 mptm? -63.01 -43.89 97.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.421 0.629 . . . . 0.0 110.422 176.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.8 mt -103.31 -0.42 30.26 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.191 -175.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.579 ' HD1' ' O ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -65.94 -25.38 67.1 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.511 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.656 HD13 ' O ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -67.27 -43.08 82.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.289 178.705 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -72.16 -15.0 61.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.571 177.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.423 ' ND2' ' HA ' ' A' ' 50' ' ' ILE . 51.5 t30 -87.44 -26.84 23.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.345 176.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -77.85 -46.17 22.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.57 -177.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.1 p -127.87 -169.3 2.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.297 -175.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.49 -44.0 25.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.731 0.3 . . . . 0.0 111.515 -177.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -146.62 98.81 0.2 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.95 -177.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -122.27 133.62 54.69 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.929 0.395 . . . . 0.0 111.522 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.523 ' HD3' ' N ' ' A' ' 76' ' ' ARG . 0.6 OUTLIER -64.09 135.05 56.04 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.599 174.881 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.42 117.93 16.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.152 0.501 . . . . 0.0 110.639 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.493 ' HG ' ' HG2' ' A' ' 82' ' ' GLU . 6.6 mp -64.93 139.86 58.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.317 177.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.2 t -146.74 170.46 16.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.578 -175.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.414 ' HB3' ' H ' ' A' ' 81' ' ' ALA . 1.2 m-20 67.76 -149.5 0.16 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.714 175.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.701 ' O ' HG11 ' A' ' 85' ' ' VAL . . . -58.09 -24.13 57.41 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -175.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.493 ' HG2' ' HG ' ' A' ' 78' ' ' LEU . 6.4 tp10 -55.91 -60.98 2.7 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 123.334 0.396 . . . . 0.0 110.637 -179.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.19 -33.14 68.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.623 0.249 . . . . 0.0 110.702 -177.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -62.7 -61.89 2.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.179 0.514 . . . . 0.0 111.409 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.701 HG11 ' O ' ' A' ' 81' ' ' ALA . 2.3 p -68.39 -35.59 71.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.73 -178.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -62.78 -42.62 99.78 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.229 178.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.45 HD22 HG12 ' A' ' 98' ' ' ILE . 61.4 mt -62.1 -44.74 96.0 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.993 0.425 . . . . 0.0 110.271 173.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -64.27 -16.97 63.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.738 -174.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.487 ' HB1' ' HE3' ' A' ' 106' ' ' MET . . . -56.22 -37.58 69.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.195 0.521 . . . . 0.0 109.716 172.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.45 ' O ' ' HB3' ' A' ' 102' ' ' GLU . . . -104.87 -47.38 1.18 Allowed Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.557 178.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.552 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 10.4 t0 -59.33 101.35 0.1 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.332 0.586 . . . . 0.0 110.577 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.4 m -98.81 -7.74 26.97 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.762 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -87.85 -24.29 23.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.797 -176.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.39 33.08 29.38 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 110.002 -1.239 . . . . 0.0 110.002 -169.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.601 ' OD1' ' HG2' ' A' ' 97' ' ' LYS . 6.7 p30 -91.39 -19.08 23.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.27 -0.465 . . . . 0.0 111.754 -175.089 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.02 28.27 54.53 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.129 178.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.799 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 10.1 ptmt -146.42 175.18 10.74 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -177.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.572 ' H ' ' CG2' ' A' ' 59' ' ' VAL . 26.7 mm -109.0 105.25 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.098 0 C-N-CA 119.753 -0.779 . . . . 0.0 110.04 175.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.4 136.7 49.26 Favored Glycine 0 N--CA 1.43 -1.724 0 N-CA-C 108.188 -1.965 . . . . 0.0 108.188 166.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.66 HG13 ' CG ' ' A' ' 48' ' ' PHE . 5.6 t -57.73 -42.63 82.2 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 CA-C-O 121.514 0.673 . . . . 0.0 110.77 -176.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -67.72 -33.45 74.9 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.082 175.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.45 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 28.1 mt-10 -67.07 -34.01 76.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.64 178.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.702 ' O ' ' HG2' ' A' ' 106' ' ' MET . 51.8 t80 -62.27 -44.81 95.69 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -53.57 -43.81 67.8 Favored Glycine 0 CA--C 1.52 0.394 0 C-N-CA 120.122 -1.037 . . . . 0.0 111.507 175.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.35 97.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.502 -0.349 . . . . 0.0 111.84 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.702 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 17.8 ptm -72.73 -21.45 61.03 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 111.51 0.189 . . . . 0.0 111.51 -176.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.622 HG13 ' O ' ' A' ' 103' ' ' PHE . 69.9 mt -73.45 -37.01 49.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 122.136 0.97 . . . . 0.0 108.591 177.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.438 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 4.0 tmmm? -86.5 -21.31 27.05 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 113.998 -1.455 . . . . 0.0 111.24 -178.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.772 -0.632 . . . . 0.0 111.776 -176.099 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.293 0 N-CA-C 113.403 0.121 . . . . 0.0 113.403 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.3 mt -70.21 -36.23 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.728 . . . . 0.0 109.386 176.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.465 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -130.73 146.4 52.19 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.476 176.628 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -89.86 106.69 18.64 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.42 -30.83 65.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -175.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.8 -35.82 80.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.076 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.41 -41.25 63.52 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.114 0.483 . . . . 0.0 110.361 178.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.54 -48.41 87.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.845 173.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.1 m -62.44 -32.93 73.86 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.953 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.14 -49.67 68.98 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.872 0.368 . . . . 0.0 110.767 178.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.69 -43.92 90.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.783 176.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.9 -26.61 64.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.546 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.9 -28.29 66.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.056 0.455 . . . . 0.0 110.346 176.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.18 -41.91 14.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.267 0.556 . . . . 0.0 110.01 173.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 49.7 t -87.84 34.35 0.72 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.216 -176.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -102.06 -9.87 20.19 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.184 0.516 . . . . 0.0 109.833 173.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.3 114.55 11.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.994 -177.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.402 ' HA ' ' CZ ' ' A' ' 25' ' ' PHE . 41.1 mt-10 -62.06 126.47 27.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.2 178.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.61 2.75 84.49 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.363 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.9 m -148.85 71.62 1.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.245 0.545 . . . . 0.0 110.804 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.433 ' HB3' ' SG ' ' A' ' 19' ' ' CYS . 78.3 m-85 -108.47 148.76 29.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.997 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.484 ' HB3' ' HB2' ' A' ' 29' ' ' ALA . 8.0 m-20 -124.6 84.64 2.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.476 0.655 . . . . 0.0 110.269 176.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.493 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 7.3 t60 -68.12 -46.23 71.45 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.301 -175.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.504 ' HE3' ' O ' ' A' ' 109' ' ' ALA . 85.6 tttt -66.39 -46.48 76.51 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.072 178.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.484 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . . . -58.4 -32.03 68.24 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.406 178.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.493 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 91.3 t80 -56.26 -55.63 30.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.501 175.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -61.19 -43.0 99.57 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -177.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.44 ' CG2' ' HA ' ' A' ' 29' ' ' ALA . 3.9 t -75.84 -21.73 56.96 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.684 -177.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -81.94 -45.5 15.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.711 0.291 . . . . 0.0 110.963 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.9 m -80.49 -10.79 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-O 121.027 0.441 . . . . 0.0 111.47 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.9 25.97 56.89 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.58 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.0 tp -76.34 -14.46 60.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.219 0.533 . . . . 0.0 110.099 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.416 ' HA ' HG23 ' A' ' 107' ' ' ILE . . . -73.59 -12.47 60.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.213 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -103.04 26.8 7.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.987 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -94.81 139.79 30.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.278 0.561 . . . . 0.0 111.107 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.8 t -82.56 153.05 67.85 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.767 176.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -41.2 -36.55 2.5 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.109 2.539 . . . . 0.0 114.07 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.39 -46.41 88.75 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.633 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 29.0 t70 -79.28 -26.91 42.25 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-O 121.222 0.534 . . . . 0.0 110.126 -177.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.1 mm -72.42 -21.81 20.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-O 121.42 0.629 . . . . 0.0 109.713 172.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.707 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 21.7 tptm -71.55 -39.37 70.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.573 175.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.633 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -69.9 -28.01 65.27 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.262 173.41 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 43' ' ' ASP . 69.7 t -63.79 -37.7 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.754 172.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.707 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -47.22 -50.56 20.75 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.02 0.438 . . . . 0.0 110.555 169.385 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -65.44 -17.75 64.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.824 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.651 ' HA ' ' ND2' ' A' ' 70' ' ' ASN . 28.3 mt -81.84 -46.31 19.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-O 119.375 -0.345 . . . . 0.0 111.759 176.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.637 ' HB ' HG12 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -67.18 -29.59 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 176.081 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -83.59 61.55 6.32 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 171.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.483 ' OE1' ' HB2' ' A' ' 70' ' ' ASN . 15.6 tp60 -45.35 -46.35 12.96 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.414 0.626 . . . . 0.0 111.524 -178.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.792 ' HB3' ' OE2' ' A' ' 63' ' ' GLU . 0.7 OUTLIER -79.65 -16.66 55.37 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.112 -0.949 . . . . 0.0 112.142 -177.575 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.445 ' HB3' ' HZ2' ' A' ' 55' ' ' LYS . 4.7 mmmp? 63.65 65.5 0.73 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.479 0.656 . . . . 0.0 111.036 178.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.97 9.46 26.5 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.058 -176.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 63.52 14.4 8.0 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.702 0.763 . . . . 0.0 109.548 -171.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -151.54 132.28 14.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.17 -1.377 . . . . 0.0 107.581 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.637 HG12 ' HB ' ' A' ' 51' ' ' ILE . 72.2 t -97.46 111.9 28.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-O 121.074 0.464 . . . . 0.0 111.664 -175.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -92.98 179.41 5.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.598 -175.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -78.43 -45.37 22.43 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.966 0.412 . . . . 0.0 111.08 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -64.53 -19.15 65.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.563 0.697 . . . . 0.0 109.908 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.792 ' OE2' ' HB3' ' A' ' 54' ' ' ASP . 83.7 mt-10 -75.85 -36.19 59.69 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.674 174.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.401 ' HG ' ' CD1' ' A' ' 87' ' ' LEU . 3.2 mm? -66.13 -21.69 66.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.077 0.465 . . . . 0.0 110.232 175.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.512 ' O ' HD23 ' A' ' 68' ' ' LEU . 9.2 mptt -63.59 -52.76 59.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.269 175.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -100.93 4.69 42.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.956 0.408 . . . . 0.0 111.557 -177.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.538 ' CD1' HG22 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -50.96 -31.2 17.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.797 0.808 . . . . 0.0 109.636 174.014 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 2.7 mm? -63.91 -55.82 19.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.871 -1.059 . . . . 0.0 111.395 -177.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -74.15 -4.49 36.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.266 0.555 . . . . 0.0 110.221 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.651 ' ND2' ' HA ' ' A' ' 50' ' ' ILE . 64.1 t30 -89.09 -25.88 21.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.151 174.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -84.5 -39.83 18.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.953 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.7 p -143.36 162.22 36.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.14 -174.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.29 -9.26 55.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.766 -174.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -134.8 66.23 0.57 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.787 -0.721 . . . . 0.0 111.874 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.427 ' HB2' ' HB3' ' A' ' 68' ' ' LEU . . . -121.91 166.07 14.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.014 0.435 . . . . 0.0 111.833 -175.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.537 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 20.1 mmm180 -115.27 136.01 53.55 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.772 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.4 118.6 12.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.095 0.474 . . . . 0.0 110.687 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 69.3 mt -70.2 139.77 52.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.736 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.5 m -143.19 173.96 11.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.762 0.315 . . . . 0.0 111.573 -176.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.49 ' O ' ' HG3' ' A' ' 84' ' ' LYS . 6.2 t70 56.62 -146.18 0.58 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.644 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.713 ' O ' HG11 ' A' ' 85' ' ' VAL . . . -50.67 -35.02 28.81 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -172.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.704 ' O ' ' HB2' ' A' ' 86' ' ' PHE . 17.4 tp10 -53.09 -50.18 64.93 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 123.191 0.307 . . . . 0.0 110.917 -176.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.78 ' O ' ' HB2' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -70.18 -28.02 64.98 Favored 'General case' 0 C--O 1.21 -1.017 0 C-N-CA 119.726 -0.79 . . . . 0.0 110.572 -179.005 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 80' ' ' ASP . 31.0 mtpt -78.4 -62.65 1.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.939 0.399 . . . . 0.0 111.447 -174.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.713 HG11 ' O ' ' A' ' 81' ' ' ALA . 2.8 p -69.99 -36.05 67.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.167 -175.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.704 ' HB2' ' O ' ' A' ' 82' ' ' GLU . 41.2 m-85 -85.02 -17.03 38.8 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -176.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.78 ' HB2' ' O ' ' A' ' 83' ' ' THR . 19.3 tp -63.86 -42.8 97.47 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 163.394 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 34.9 mmtp -75.06 -15.63 60.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.406 -178.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.58 -37.29 62.79 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 169.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.522 ' N ' ' HE1' ' A' ' 106' ' ' MET . . . -96.24 -58.33 1.09 Allowed Glycine 0 N--CA 1.438 -1.205 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.767 175.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.608 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 20.6 t0 -64.17 100.52 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.938 0.399 . . . . 0.0 110.773 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.3 m -97.17 -5.27 37.53 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.246 0.546 . . . . 0.0 109.841 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.32 -26.24 30.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.753 -179.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.37 43.93 9.09 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.809 -176.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -109.43 -21.2 12.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.714 0.292 . . . . 0.0 111.665 -175.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.89 28.2 16.53 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.576 177.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.608 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 1.6 ptmm? -137.17 162.25 33.95 Favored 'General case' 0 CA--C 1.505 -0.755 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.581 ' HB ' HG12 ' A' ' 59' ' ' VAL . 16.1 mm -106.82 98.99 7.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 CA-C-O 121.395 0.617 . . . . 0.0 109.693 176.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.487 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -60.24 138.11 48.8 Favored Glycine 0 N--CA 1.43 -1.75 0 N-CA-C 108.399 -1.88 . . . . 0.0 108.399 165.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.487 ' CG2' ' HB2' ' A' ' 48' ' ' PHE . 84.3 t -65.82 -41.86 91.04 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-O 121.263 0.554 . . . . 0.0 110.388 -175.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.27 -33.75 72.76 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.154 171.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' A' ' 99' ' ' GLY . 9.2 mm-40 -68.82 -41.01 79.18 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.668 177.155 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.491 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . 25.9 t80 -65.6 -45.81 81.74 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.053 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.88 -34.81 72.74 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.559 176.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.96 89.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.853 -0.174 . . . . 0.0 111.202 178.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.522 ' HE1' ' N ' ' A' ' 90' ' ' GLY . 7.7 ptp -74.69 -21.9 59.14 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.965 0.412 . . . . 0.0 110.469 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.448 HD12 ' CE2' ' A' ' 103' ' ' PHE . 71.7 mt -78.78 -38.34 21.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.89 0.853 . . . . 0.0 109.403 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -84.2 -22.99 30.71 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.508 -176.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.504 ' O ' ' HE3' ' A' ' 28' ' ' LYS . . . . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.163 -0.923 . . . . 0.0 110.468 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.589 0 N-CA-C 111.7 -0.56 . . . . 0.0 111.7 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.69 -36.29 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-O 121.491 0.662 . . . . 0.0 109.972 177.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.594 ' HG ' ' CE1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -138.32 140.07 39.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.391 -0.822 . . . . 0.0 108.991 172.255 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.447 ' N ' HD21 ' A' ' 8' ' ' ASN . 0.9 OUTLIER -97.26 113.72 25.38 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.206 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -49.6 -37.59 28.28 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.802 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.39 -33.47 73.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.616 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -82.55 -41.01 20.16 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.588 0.708 . . . . 0.0 110.15 -177.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.21 -46.44 96.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.756 175.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.6 m -59.76 -31.58 69.78 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.223 174.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.07 -51.65 56.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.812 177.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.3 -41.61 72.55 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.815 0.34 . . . . 0.0 111.405 174.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 75' ' ' ALA . 47.6 mt -71.0 -36.17 72.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.376 -178.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.12 -22.91 59.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.137 0.494 . . . . 0.0 110.638 178.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.54 -22.31 61.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.413 0.625 . . . . 0.0 109.397 173.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.3 m -103.51 32.74 3.67 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.186 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.487 ' HB2' ' HZ1' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -68.9 -12.03 61.19 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.995 179.429 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.71 115.62 9.16 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.32 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -55.73 113.21 1.38 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.388 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.61 0.28 76.01 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.899 -0.667 . . . . 0.0 113.157 175.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.9 m -124.08 80.44 1.82 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.947 0.403 . . . . 0.0 110.807 -177.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -94.5 136.41 34.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.32 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -102.26 91.02 4.11 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.169 0.509 . . . . 0.0 109.733 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -25.41 61.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.945 -179.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.621 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 62.8 tttm -71.7 -51.4 23.1 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.692 -175.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.632 ' O ' ' HB3' ' A' ' 33' ' ' LYS . . . -55.82 -37.2 68.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.466 0.65 . . . . 0.0 110.169 175.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.544 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 66.2 t80 -67.04 -28.55 68.31 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.313 -177.362 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.659 ' CE1' ' HB ' ' A' ' 32' ' ' THR . 3.1 p90 -89.14 -49.48 6.72 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 119.743 -0.783 . . . . 0.0 111.753 175.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.659 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 4.6 t -86.64 -39.18 16.34 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -167.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.632 ' HB3' ' O ' ' A' ' 29' ' ' ALA . 5.8 tmtm? -80.99 -28.14 35.64 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.828 0.823 . . . . 0.0 108.996 -176.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.544 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 1.3 t -69.36 -33.6 58.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.146 169.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.0 22.96 28.84 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.133 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.479 HD12 ' HG3' ' A' ' 39' ' ' LYS . 20.8 tp -84.33 -20.93 31.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.648 0.261 . . . . 0.0 111.235 -176.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.29 -33.0 74.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.638 0.256 . . . . 0.0 111.467 -177.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.53 28.01 3.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.027 0.441 . . . . 0.0 111.179 -179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.479 ' HG3' HD12 ' A' ' 36' ' ' LEU . 44.0 mmtm -96.63 151.05 19.98 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.675 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 m -74.26 154.14 88.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.599 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -43.19 -46.47 9.25 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.069 2.513 . . . . 0.0 113.262 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.43 -41.79 85.85 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.713 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 69.7 m-20 -73.71 -39.41 64.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.519 0.676 . . . . 0.0 110.334 -177.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.5 mt -72.13 -25.06 23.06 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-O 121.151 0.501 . . . . 0.0 110.353 176.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 48.6 tptt -64.51 -43.96 92.43 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.868 176.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.713 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -66.22 -32.07 73.28 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.521 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.618 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 94.0 t -64.67 -32.78 59.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.895 173.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.512 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 17.0 m-30 -59.36 -30.39 68.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.376 0.608 . . . . 0.0 110.148 174.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.42 ' HB3' ' HD3' ' A' ' 55' ' ' LYS . 42.4 mt-10 -80.21 -19.06 47.84 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.963 174.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.618 ' HB ' ' O ' ' A' ' 47' ' ' VAL . 0.3 OUTLIER -65.02 -45.89 93.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 177.727 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.619 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -64.84 -31.82 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 176.231 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.414 ' HB2' HG23 ' A' ' 59' ' ' VAL . 28.5 t0 -85.36 67.2 10.05 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.963 177.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -48.49 -46.71 38.58 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.272 0.558 . . . . 0.0 111.051 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -71.56 -18.85 62.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.995 -177.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.42 ' HD3' ' HB3' ' A' ' 49' ' ' GLU . 21.0 mmmt 56.0 64.32 1.76 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.12 0.486 . . . . 0.0 111.843 -178.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.4 p -130.25 10.49 5.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.781 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 73.59 -1.16 3.14 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.799 0.839 . . . . 0.0 111.623 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -118.52 122.76 43.46 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 174.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.753 ' HA ' ' OE1' ' A' ' 63' ' ' GLU . 15.7 t -115.5 94.75 3.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 120.585 0.231 . . . . 0.0 111.433 -172.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -92.7 179.95 5.34 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -172.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -69.52 -47.56 63.38 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.388 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 30.9 m-20 -62.11 -20.82 64.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.517 0.675 . . . . 0.0 110.039 -178.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.753 ' OE1' ' HA ' ' A' ' 59' ' ' VAL . 47.0 tt0 -80.65 -43.47 20.39 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.024 177.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.578 ' O ' ' HD2' ' A' ' 67' ' ' PHE . 0.5 OUTLIER -62.18 -18.1 60.01 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.574 175.726 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.414 ' HB3' HD23 ' A' ' 66' ' ' LEU . 11.2 mptt -55.0 -55.77 27.14 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.797 175.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.414 HD23 ' HB3' ' A' ' 65' ' ' LYS . 1.6 mm? -102.71 5.02 38.73 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.578 ' HD2' ' O ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -60.31 -29.99 69.2 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.031 -177.433 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.512 ' HG ' ' CE2' ' A' ' 67' ' ' PHE . 0.7 OUTLIER -71.7 -36.0 70.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.254 -178.634 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -77.61 -10.3 59.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.481 0.658 . . . . 0.0 109.403 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -86.77 -26.16 24.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.961 173.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.594 ' CE1' ' HG ' ' A' ' 7' ' ' LEU . 6.8 t80 -83.08 -51.95 7.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.199 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.1 m -142.0 173.56 11.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.262 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.63 -44.83 10.92 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -174.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.34 49.67 4.23 Favored Glycine 0 CA--C 1.512 -0.105 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.379 -176.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.406 ' HA ' HD11 ' A' ' 16' ' ' LEU . . . -104.21 161.93 13.62 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.076 0.465 . . . . 0.0 111.465 -176.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -110.38 132.43 54.18 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 177.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.3 117.04 14.56 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.129 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 43.2 mt -63.55 121.03 12.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.44 -177.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.518 ' O ' ' HG3' ' A' ' 82' ' ' GLU . 6.5 m -124.71 133.95 53.01 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 -177.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 64.73 -113.34 0.32 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.83 175.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.69 -26.09 65.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.879 0.371 . . . . 0.0 111.529 -172.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' A' ' 79' ' ' SER . 7.5 mt-10 -64.27 -51.04 65.53 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.435 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -66.87 -42.94 84.79 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.287 177.465 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 56.5 tttm -57.03 -60.29 3.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.743 -177.144 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.8 t -65.59 -39.41 84.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.036 0.446 . . . . 0.0 110.918 -177.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -63.53 -41.73 98.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.131 -178.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.443 ' CD2' HG12 ' A' ' 98' ' ' ILE . 88.1 mt -62.63 -41.61 99.12 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 176.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 73.5 mmtt -65.32 -21.93 66.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.707 -177.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.79 -23.21 67.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.915 177.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.405 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -122.28 -51.56 0.23 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.928 -178.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.602 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 29.4 t70 -61.32 114.18 3.04 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.786 0.327 . . . . 0.0 111.037 -177.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.4 t -95.03 -13.47 25.19 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.029 0.442 . . . . 0.0 110.202 -176.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.16 -26.0 29.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.424 -174.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.62 37.0 21.48 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.522 -176.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -103.34 -20.55 14.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.687 0.279 . . . . 0.0 111.325 -175.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.41 28.77 12.18 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.893 176.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.602 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 9.9 ptmt -132.92 171.82 13.43 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 179.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.588 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 24.9 mm -112.56 100.05 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.398 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.777 172.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.11 141.33 48.12 Favored Glycine 0 N--CA 1.43 -1.72 0 N-CA-C 108.322 -1.911 . . . . 0.0 108.322 165.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.1 m -52.12 -45.65 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.275 0 CA-C-N 117.427 0.613 . . . . 0.0 111.762 -176.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -75.78 -25.6 56.56 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.437 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.405 ' HB3' ' C ' ' A' ' 90' ' ' GLY . 6.0 mm-40 -61.39 -42.66 99.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.742 174.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.588 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . 26.7 t80 -64.79 -42.58 94.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.225 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.1 -37.63 64.14 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.079 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.85 -33.52 75.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.882 -0.159 . . . . 0.0 111.426 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 6.3 ptp -82.97 -19.87 36.28 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.844 -177.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 103' ' ' PHE . 68.2 mt -78.23 -31.13 16.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 122.14 0.971 . . . . 0.0 109.147 176.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -92.44 -27.55 17.4 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.478 -174.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.657 -0.687 . . . . 0.0 110.941 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.261 0 N-CA-C 113.269 0.067 . . . . 0.0 113.269 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.7 mt -61.12 -33.36 55.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.418 0.628 . . . . 0.0 109.474 172.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -141.51 132.86 26.63 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.049 179.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -89.47 110.81 21.6 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -53.94 -31.28 49.87 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.301 -177.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.02 -41.68 77.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.818 176.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.56 -42.82 82.01 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 120.91 0.386 . . . . 0.0 110.823 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.56 -49.58 77.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.799 175.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.6 m -61.77 -37.0 82.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.16 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.39 -56.34 23.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.592 0.234 . . . . 0.0 111.454 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.544 ' HB2' ' HG2' ' A' ' 33' ' ' LYS . . . -59.56 -40.62 87.91 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 178.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.3 mt -68.2 -32.45 72.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.313 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.475 ' HA ' ' NH1' ' A' ' 76' ' ' ARG . . . -69.53 -32.15 70.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.9 179.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.01 -3.88 44.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.399 0.619 . . . . 0.0 110.242 178.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.7 m -116.18 62.64 0.71 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.467 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.477 ' HB3' ' HZ3' ' A' ' 20' ' ' LYS . 7.0 ttpm? -102.4 -26.19 13.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.103 0.478 . . . . 0.0 109.896 175.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.404 ' HB1' ' HB3' ' A' ' 24' ' ' SER . . . -70.44 127.41 32.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.939 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -62.4 119.97 10.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.838 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.69 2.12 67.57 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.48 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.404 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 32.9 t -126.39 58.15 1.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.271 0.558 . . . . 0.0 110.263 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.568 ' CD1' ' HG3' ' A' ' 82' ' ' GLU . 50.0 m-85 -102.39 103.79 14.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.202 176.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.411 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 7.8 m-20 -78.72 80.32 5.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.056 -177.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -62.99 -34.56 77.8 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.77 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.595 ' HG3' ' CE2' ' A' ' 31' ' ' PHE . 39.7 ttmt -71.34 -49.4 42.88 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.062 178.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.433 ' HA ' HG21 ' A' ' 32' ' ' THR . . . -53.3 -33.12 51.98 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.291 177.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.423 ' O ' HG22 ' A' ' 34' ' ' VAL . 76.6 t80 -60.66 -62.13 2.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.076 177.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.595 ' CE2' ' HG3' ' A' ' 28' ' ' LYS . 1.1 p90 -58.14 -35.39 71.44 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 121.177 0.513 . . . . 0.0 111.087 -176.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.475 HG21 ' O ' ' A' ' 28' ' ' LYS . 7.5 t -85.82 -21.85 27.9 Favored 'General case' 0 N--CA 1.431 -1.392 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.544 -171.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.544 ' HG2' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -88.02 -35.29 17.65 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.513 0.197 . . . . 0.0 111.328 177.107 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 30' ' ' PHE . 22.1 m -80.7 -6.9 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-O 120.975 0.417 . . . . 0.0 111.389 -178.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.94 13.05 72.85 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.77 177.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.478 ' O ' HG22 ' A' ' 107' ' ' ILE . 16.6 tp -81.67 11.36 4.83 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.367 0.603 . . . . 0.0 109.961 -178.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.13 -19.92 19.7 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.969 169.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.79 8.43 32.83 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.093 -177.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.454 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -56.21 160.96 2.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.344 -0.843 . . . . 0.0 112.55 177.736 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.0 m -97.11 159.76 30.6 Favored Pre-proline 0 C--N 1.318 -0.77 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 170.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.449 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 86.9 Cg_exo -43.66 -47.05 9.9 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.85 2.367 . . . . 0.0 113.647 -178.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.16 -29.68 70.98 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.679 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 68.7 m-20 -69.71 -42.48 73.96 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.1 mm -70.9 -23.14 23.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.856 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.477 ' HB3' ' HZ2' ' A' ' 45' ' ' LYS . 3.9 mmmp? -65.59 -45.99 81.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.073 0.464 . . . . 0.0 110.356 174.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.679 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -70.23 -21.13 63.03 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.515 176.853 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.639 ' O ' HD11 ' A' ' 51' ' ' ILE . 70.7 t -69.61 -34.75 62.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.124 173.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.448 ' HA ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -52.82 -43.65 66.12 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 170.334 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -63.39 -27.04 69.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.935 178.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.474 ' CD1' ' HA ' ' A' ' 47' ' ' VAL . 51.7 mt -71.36 -54.12 18.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.639 HD11 ' O ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -63.11 -37.55 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 C-N-CA 119.702 -0.799 . . . . 0.0 109.358 -178.394 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -83.84 72.57 10.39 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 120.114 -0.635 . . . . 0.0 109.47 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.493 ' HA ' HD21 ' A' ' 70' ' ' ASN . 5.8 tp-100 -51.44 -44.25 62.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.992 0.425 . . . . 0.0 111.038 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -80.59 -18.61 47.72 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.575 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 4.8 tppp? 58.77 67.67 0.9 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.477 0.656 . . . . 0.0 112.473 172.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.2 m -128.49 20.45 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.408 177.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.2 t70 73.28 -3.08 2.55 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.787 0.835 . . . . 0.0 111.304 177.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -120.75 134.34 55.29 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 173.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.573 HG12 ' HB ' ' A' ' 51' ' ' ILE . 6.5 t -123.64 86.38 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.424 -173.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -89.17 -175.87 4.93 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -176.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.54 -37.75 82.23 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.595 -174.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -55.41 -40.93 72.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.945 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.628 ' HB3' ' O ' ' A' ' 51' ' ' ILE . 1.4 mp0 -67.81 -40.7 83.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 177.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.449 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 4.1 mm? -65.69 -18.67 65.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.146 0.498 . . . . 0.0 111.156 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.503 ' O ' HD23 ' A' ' 68' ' ' LEU . 11.1 mptt -70.17 -49.64 48.4 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.514 175.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.499 HD21 ' NE2' ' A' ' 69' ' ' GLN . 33.2 mt -103.24 4.55 36.8 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -175.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.494 ' HB2' ' HA ' ' A' ' 51' ' ' ILE . 0.9 OUTLIER -63.49 -23.62 67.47 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.511 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 2.0 mm? -61.41 -43.24 99.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.752 175.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.499 ' NE2' HD21 ' A' ' 66' ' ' LEU . 78.9 mt-30 -66.99 -17.55 64.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.057 178.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.493 HD21 ' HA ' ' A' ' 53' ' ' GLN . 47.6 t-20 -85.82 -38.7 17.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.88 175.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.457 ' CD2' HG22 ' A' ' 50' ' ' ILE . 1.9 t80 -62.09 -49.38 76.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.249 -174.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.2 p -132.34 -167.92 1.97 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.889 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.9 -43.87 34.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.069 0.462 . . . . 0.0 110.877 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -142.4 97.17 0.2 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.925 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -122.33 160.04 26.19 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.069 0.461 . . . . 0.0 111.115 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.622 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 97.7 mtt180 -89.14 124.55 34.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.05 -176.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.27 129.98 42.6 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.847 178.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.1 mt -86.47 124.55 32.91 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.0 m -128.95 -176.21 3.79 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 64.56 -148.63 0.27 Allowed 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.508 0.505 . . . . 0.0 110.733 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.413 ' O ' HG13 ' A' ' 85' ' ' VAL . . . -66.81 -17.49 64.91 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -174.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.568 ' HG3' ' CD1' ' A' ' 25' ' ' PHE . 6.5 mm-40 -61.56 -51.55 68.12 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -177.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.491 ' O ' ' HB2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -60.79 -38.34 85.01 Favored 'General case' 0 C--O 1.208 -1.079 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.979 178.611 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.446 ' HZ3' ' HB2' ' A' ' 84' ' ' LYS . 1.6 ttmp? -62.21 -56.53 17.79 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -178.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 81' ' ' ALA . 8.4 p -69.5 -34.01 59.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.877 0.37 . . . . 0.0 111.213 -176.023 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -76.29 -31.64 58.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.896 0.379 . . . . 0.0 110.496 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.553 HD11 HG12 ' A' ' 98' ' ' ILE . 19.5 tp -69.57 -44.59 70.54 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 175.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.513 ' HA ' ' HB3' ' A' ' 91' ' ' ASP . 25.1 mmtm -69.78 -17.82 63.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.721 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.76 -27.2 66.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.032 0.444 . . . . 0.0 110.121 173.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.469 ' N ' ' HE2' ' A' ' 106' ' ' MET . . . -111.57 2.35 27.73 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 177.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.513 ' HB3' ' HA ' ' A' ' 88' ' ' LYS . 26.2 t0 -104.17 79.09 1.57 Allowed 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 171.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.1 m -91.63 -25.85 18.96 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.118 0.485 . . . . 0.0 110.373 -172.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -89.59 -3.14 58.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.325 176.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 70.34 44.7 58.36 Favored Glycine 0 C--N 1.331 0.256 0 CA-C-N 115.439 -0.801 . . . . 0.0 113.375 172.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -109.98 12.34 23.74 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.985 0.392 . . . . 0.0 111.244 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.79 29.18 39.66 Favored Glycine 0 C--N 1.334 0.421 0 N-CA-C 114.549 0.579 . . . . 0.0 114.549 166.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.544 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 8.7 ptpp? -160.07 178.55 9.57 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 117.225 0.512 . . . . 0.0 110.428 -176.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.553 HG12 HD11 ' A' ' 87' ' ' LEU . 23.5 mm -92.52 114.74 29.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.286 172.119 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -72.82 138.15 25.37 Favored Glycine 0 N--CA 1.437 -1.288 0 N-CA-C 108.859 -1.696 . . . . 0.0 108.859 167.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.9 m -58.45 -49.01 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.976 0 CA-C-N 117.471 0.636 . . . . 0.0 111.918 -174.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -80.07 -25.23 40.15 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.461 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -64.07 -33.69 76.34 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.852 173.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.551 ' CD1' ' HE1' ' A' ' 106' ' ' MET . 52.0 t80 -67.82 -49.82 60.14 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.996 178.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -54.75 -39.83 69.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.387 -0.911 . . . . 0.0 111.489 175.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.01 -26.85 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.551 ' HE1' ' CD1' ' A' ' 103' ' ' PHE . 4.7 ptp -78.0 -28.39 49.23 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.305 0.574 . . . . 0.0 109.836 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.483 HD11 ' CE2' ' A' ' 103' ' ' PHE . 72.2 mt -77.65 -39.6 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.34 -178.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -80.37 -29.41 37.87 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 114.661 -1.154 . . . . 0.0 110.267 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.207 0 CA-C-O 118.578 -0.725 . . . . 0.0 111.886 177.898 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 CA-C-O 120.153 -0.248 . . . . 0.0 113.303 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.565 HG22 ' OD2' ' A' ' 43' ' ' ASP . 5.5 mm -53.49 -45.15 58.03 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.106 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 175.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.415 ' C ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -138.08 152.87 49.2 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 170.197 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -99.33 131.76 45.12 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.827 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -56.15 -28.7 59.03 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.456 174.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.87 -47.03 41.09 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.902 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.529 ' OD2' ' HA ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -72.51 -43.77 63.13 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.151 0.501 . . . . 0.0 110.635 -172.875 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.73 -45.43 97.71 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.841 174.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.8 m -63.39 -30.59 71.7 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.286 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.65 -52.91 63.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.97 0.414 . . . . 0.0 110.315 177.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.6 -36.85 84.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.452 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.44 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 83.9 mt -74.91 -28.64 60.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.763 0.316 . . . . 0.0 111.44 -178.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.72 -18.59 60.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.167 0.508 . . . . 0.0 110.073 175.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.22 -37.0 66.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.914 175.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.44 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 26.5 p -88.96 18.85 4.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.139 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -71.4 -17.56 62.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.644 0.735 . . . . 0.0 109.196 173.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 24' ' ' SER . . . -104.59 145.52 30.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.281 172.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -72.32 137.77 46.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.685 0.279 . . . . 0.0 110.365 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.5 16.34 76.05 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.917 -0.658 . . . . 0.0 111.503 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 56.5 m -119.04 7.59 11.42 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -173.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -85.88 95.85 9.59 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 119.919 -0.713 . . . . 0.0 109.9 172.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.411 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 20.3 m-20 -86.37 98.14 10.82 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 171.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 -45.89 -34.42 3.85 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.583 0.706 . . . . 0.0 111.286 176.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.564 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . 62.5 tttm -73.51 -49.95 24.0 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.262 -178.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.444 ' HA ' HG21 ' A' ' 32' ' ' THR . . . -57.64 -35.09 70.04 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.181 177.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.418 ' O ' HG22 ' A' ' 34' ' ' VAL . 77.9 t80 -59.6 -58.9 6.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.806 178.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -62.56 -34.38 76.83 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.474 0.654 . . . . 0.0 111.131 -174.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.444 HG21 ' HA ' ' A' ' 29' ' ' ALA . 2.4 t -86.54 -19.42 29.49 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.233 -172.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 36.8 ttmt -86.63 -49.12 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.689 178.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.529 ' HA ' ' OD2' ' A' ' 11' ' ' ASP . 16.2 m -74.19 -23.51 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-O 120.87 0.367 . . . . 0.0 111.344 -177.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' A' ' 39' ' ' LYS . . . 105.08 14.72 21.95 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.676 -0.773 . . . . 0.0 113.43 175.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.599 ' HA ' ' CG ' ' A' ' 39' ' ' LYS . 14.2 mt -66.43 -25.88 66.96 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -178.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.526 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . . . -64.0 -23.73 67.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.921 0.391 . . . . 0.0 110.603 177.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -107.67 -5.45 17.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.01 177.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.599 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 46.0 mmtt -63.9 145.55 55.63 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.489 0.661 . . . . 0.0 112.125 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.2 t -74.71 148.6 85.32 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.732 177.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.412 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 53.2 Cg_exo -53.61 -21.63 19.82 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.125 2.55 . . . . 0.0 112.832 176.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.04 -40.78 62.62 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.151 0.501 . . . . 0.0 110.727 177.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.777 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 6.9 t70 -70.96 -45.71 63.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.488 177.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.0 mt -60.55 -22.21 25.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.136 0.493 . . . . 0.0 110.525 174.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.509 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 40.9 tptt -74.42 -37.73 63.26 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 120.779 0.323 . . . . 0.0 110.647 177.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.777 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -73.28 -25.39 60.65 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.191 174.302 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.569 ' O ' HD12 ' A' ' 51' ' ' ILE . 61.5 t -67.78 -32.3 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.889 172.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.509 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -53.7 -47.98 69.99 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 170.183 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.75 -23.84 63.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.514 177.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.543 ' HA ' ' ND2' ' A' ' 70' ' ' ASN . 35.1 mt -76.18 -56.24 8.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 118.906 -0.569 . . . . 0.0 112.352 178.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.628 ' HB ' ' CG1' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -61.4 -34.64 62.07 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.59 ' CG ' ' HA ' ' A' ' 55' ' ' LYS . 9.7 t0 -83.14 74.38 10.0 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 174.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -53.07 -43.93 67.09 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.563 0.697 . . . . 0.0 110.411 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -84.41 -9.2 58.62 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.532 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.59 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 21.9 pttp 37.02 63.69 0.67 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.153 0.981 . . . . 0.0 113.61 177.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.7 p -125.54 33.01 5.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.269 176.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 78.46 -2.26 2.39 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 115.029 -0.987 . . . . 0.0 112.018 175.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -130.33 132.65 45.95 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.638 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 99.8 t -115.52 89.94 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.104 -174.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -93.13 169.21 10.58 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -174.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.55 -45.92 80.96 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -176.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -57.34 -24.79 57.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.971 -177.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -77.25 -45.38 26.6 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.696 175.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.556 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 1.0 OUTLIER -62.37 -16.02 52.16 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.578 -179.503 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.414 ' O ' HD23 ' A' ' 68' ' ' LEU . 23.6 mmtp -61.39 -56.11 23.93 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 120.501 -0.479 . . . . 0.0 111.004 172.409 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -102.35 4.54 39.11 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.556 ' HD1' ' O ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -60.08 -24.15 64.37 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.112 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 2.3 mm? -63.6 -43.0 98.19 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.512 175.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -72.95 -11.31 60.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.713 0.768 . . . . 0.0 109.635 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.543 ' ND2' ' HA ' ' A' ' 50' ' ' ILE . 63.4 t30 -91.0 -17.8 25.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.432 173.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.487 ' CD2' HG23 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -86.54 -43.98 12.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.469 178.534 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.5 p -153.59 174.89 13.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.935 -178.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.51 -44.56 11.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.889 0.376 . . . . 0.0 111.258 -178.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -93.14 54.56 2.51 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.135 -177.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.499 ' HB1' ' HB3' ' A' ' 68' ' ' LEU . . . -106.38 166.36 10.59 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.954 0.407 . . . . 0.0 111.615 -175.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.534 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 29.7 mmm180 -114.94 140.07 49.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.161 -178.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.33 121.55 23.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.822 0.344 . . . . 0.0 110.638 179.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.8 mp -68.95 113.85 6.72 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.024 176.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.5 t -118.68 143.53 46.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.793 0.33 . . . . 0.0 110.698 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 65.82 -112.05 0.22 Allowed 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.825 173.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.25 -33.58 73.47 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.554 -171.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.89 -47.74 82.0 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.469 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -62.44 -55.56 26.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.463 179.011 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -55.93 -55.48 32.13 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -175.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.6 t -70.18 -36.45 67.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.539 -173.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -70.09 -34.97 73.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.282 176.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 83' ' ' THR . 81.7 mt -64.21 -52.04 60.77 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 173.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -63.3 -16.39 60.18 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -176.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.18 -28.68 66.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.092 0.473 . . . . 0.0 110.485 172.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -119.89 -41.09 0.57 Allowed Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.926 177.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -58.99 102.53 0.12 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.376 0.607 . . . . 0.0 110.553 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.6 m -98.3 -5.88 32.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.899 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.34 -25.72 18.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.308 -176.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.12 24.95 56.56 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.26 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.605 ' OD2' ' HG2' ' A' ' 97' ' ' LYS . 17.4 p-10 -104.94 -4.03 22.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.722 0.296 . . . . 0.0 111.307 -174.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.47 28.32 48.38 Favored Glycine 0 CA--C 1.517 0.195 0 C-N-CA 120.705 -0.759 . . . . 0.0 113.767 172.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.638 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 5.4 ptpp? -130.01 169.67 14.96 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.142 0.496 . . . . 0.0 109.905 176.115 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.596 ' O ' ' HB ' ' A' ' 59' ' ' VAL . 24.8 mm -116.1 104.94 17.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.005 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.702 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -68.12 138.27 32.6 Favored Glycine 0 N--CA 1.432 -1.576 0 N-CA-C 108.148 -1.981 . . . . 0.0 108.148 163.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.435 HG21 ' CD1' ' A' ' 48' ' ' PHE . 82.3 t -60.16 -37.62 73.97 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 CA-C-N 117.602 0.701 . . . . 0.0 110.938 -176.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.52 -38.87 88.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.178 173.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.91 -36.42 84.32 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.169 175.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.507 ' O ' ' HG2' ' A' ' 106' ' ' MET . 35.2 t80 -69.43 -46.98 65.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.46 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.4 -34.78 76.38 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.786 177.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.4 -36.74 79.55 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 10.8 ptp -72.77 -24.9 61.01 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.047 0.451 . . . . 0.0 110.35 -178.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.445 HD11 ' CE2' ' A' ' 103' ' ' PHE . 81.1 mt -80.59 -32.99 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 122.131 0.967 . . . . 0.0 109.763 177.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -95.74 7.78 45.35 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.492 -1.231 . . . . 0.0 110.288 -176.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.245 177.505 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.661 -0.176 . . . . 0.0 112.661 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.4 mt -62.44 -28.73 45.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 121.747 0.784 . . . . 0.0 109.289 174.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -137.4 149.19 46.75 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.858 176.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.402 ' N ' HD21 ' A' ' 8' ' ' ASN . 0.9 OUTLIER -101.06 114.69 28.86 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 170.36 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -53.77 -34.67 59.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.122 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.49 -36.6 84.73 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.561 177.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.411 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 32.1 m-20 -68.92 -47.73 65.03 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 120.964 0.411 . . . . 0.0 110.99 -178.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.519 ' O ' HD22 ' A' ' 16' ' ' LEU . 1.9 mp -59.3 -53.34 49.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.858 177.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.0 m -54.66 -35.34 63.41 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.501 177.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.68 94.3 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.28 99.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.061 176.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.519 HD22 ' O ' ' A' ' 12' ' ' ILE . 4.6 mm? -62.16 -35.39 78.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.799 176.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.08 -33.11 75.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.897 0.379 . . . . 0.0 111.092 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.83 -10.73 54.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.066 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.523 ' HB3' ' CD1' ' A' ' 25' ' ' PHE . 87.1 m -129.91 29.87 4.91 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.541 -174.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -90.32 2.55 55.4 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.99 0.424 . . . . 0.0 111.307 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.4 133.1 37.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.105 175.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -61.9 126.5 27.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.251 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.58 15.01 79.03 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.049 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.9 m -130.29 17.04 5.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.706 0.289 . . . . 0.0 111.322 -178.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.523 ' CD1' ' HB3' ' A' ' 19' ' ' CYS . 25.4 t80 -76.37 124.68 27.9 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 176.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -109.05 94.8 5.24 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.372 -0.531 . . . . 0.0 109.641 172.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -55.29 -26.05 37.89 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.876 -178.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.536 ' HG3' ' CE2' ' A' ' 31' ' ' PHE . 29.9 ttpp -72.88 -50.94 20.75 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.3 -38.99 59.95 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.93 174.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -54.33 -56.04 22.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.434 178.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.536 ' CE2' ' HG3' ' A' ' 28' ' ' LYS . 1.9 p90 -66.59 -37.54 85.13 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.294 0.568 . . . . 0.0 111.449 -175.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.506 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 8.6 t -86.34 -20.75 27.85 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.941 -169.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -83.68 -37.44 22.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.974 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.446 ' CG2' ' HB2' ' A' ' 36' ' ' LEU . 10.6 m -85.66 -11.6 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.396 -178.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.462 ' O ' ' HE2' ' A' ' 39' ' ' LYS . . . 83.89 28.61 34.16 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.213 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.446 ' HB2' ' CG2' ' A' ' 34' ' ' VAL . 12.6 tp -81.24 -17.02 50.97 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.649 -0.324 . . . . 0.0 110.918 -174.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.529 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . . . -79.9 -7.81 58.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.727 0.299 . . . . 0.0 111.473 -176.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -111.22 30.38 6.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.035 0.445 . . . . 0.0 110.625 177.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.462 ' HE2' ' O ' ' A' ' 35' ' ' GLY . 71.3 mmtt -95.72 134.19 38.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.829 -179.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.9 m -73.51 160.15 83.0 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.902 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_exo -43.7 -46.03 10.58 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.864 2.376 . . . . 0.0 113.202 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.87 -44.93 96.39 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.833 0.349 . . . . 0.0 111.614 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.703 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 5.2 m-20 -64.64 -44.58 90.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.376 0.608 . . . . 0.0 109.439 178.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.4 mm -64.64 -29.52 47.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.235 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 21.6 tptm -65.0 -42.12 94.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.083 0.468 . . . . 0.0 110.508 178.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.703 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -71.79 -25.63 62.09 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.782 -0.767 . . . . 0.0 109.27 177.021 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.737 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 96.2 t -68.44 -31.38 51.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.839 173.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.419 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -54.16 -45.33 72.01 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 169.543 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.31 -24.89 65.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.719 177.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.737 ' HB ' ' O ' ' A' ' 47' ' ' VAL . 0.3 OUTLIER -63.92 -54.6 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.686 174.459 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.682 ' HB ' ' CG1' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -70.56 -28.7 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.694 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -81.44 65.99 6.8 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 174.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.06 -31.59 71.35 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.459 0.647 . . . . 0.0 110.509 -172.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -85.49 -11.28 54.63 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.214 177.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt 57.16 64.93 1.49 Allowed 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 167.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.0 m -138.75 25.96 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.026 -178.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 72.79 -2.66 2.61 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.284 0.633 . . . . 0.0 112.102 176.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -131.67 135.85 47.23 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 175.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.682 ' CG1' ' HB ' ' A' ' 51' ' ' ILE . 87.4 t -111.19 92.67 2.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.387 -171.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.495 ' O ' ' HB3' ' A' ' 63' ' ' GLU . 42.6 mt-10 -93.0 164.92 13.1 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -172.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -57.96 -53.75 54.71 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.58 -19.34 62.07 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.133 0.492 . . . . 0.0 110.511 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.597 ' OE1' ' HA ' ' A' ' 59' ' ' VAL . 32.8 tt0 -81.51 -43.14 19.21 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.507 176.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.565 ' O ' ' HD2' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -59.88 -20.0 54.6 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.277 175.647 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' O ' HD23 ' A' ' 68' ' ' LEU . 8.6 mptt -53.56 -45.62 69.94 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.279 178.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.492 HD13 HE21 ' A' ' 69' ' ' GLN . 1.3 mm? -102.59 4.37 38.31 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.565 ' HD2' ' O ' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -61.7 -24.56 66.85 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.678 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 2.1 mm? -61.95 -51.11 69.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.051 177.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.492 HE21 HD13 ' A' ' 66' ' ' LEU . 35.5 mt-30 -68.11 -14.96 63.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.009 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -83.03 -38.79 22.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.402 176.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.42 ' CD2' HG22 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -67.57 -46.65 72.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.861 178.142 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.1 m -154.9 145.24 22.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.766 178.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.36 -13.91 62.35 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -174.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -111.42 29.35 8.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.342 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.43 139.63 35.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.848 0.356 . . . . 0.0 110.809 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.561 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 25.9 mmm180 -84.59 136.86 33.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.832 -176.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.64 118.65 11.2 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.99 0.424 . . . . 0.0 111.023 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 73.3 mt -69.54 130.42 42.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.496 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.437 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 14.4 m -129.38 155.83 45.03 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.984 -178.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 53.68 -112.0 0.66 Allowed 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 176.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.563 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -71.52 -34.14 69.82 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.749 -168.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 79' ' ' SER . 1.1 mm-40 -59.16 -53.26 60.34 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 -177.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.619 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 2.2 m -60.13 -44.13 95.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.106 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -55.91 -61.74 2.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.868 -177.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.563 HG12 ' O ' ' A' ' 81' ' ' ALA . 7.1 p -69.84 -29.82 42.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.917 0.389 . . . . 0.0 110.902 -175.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -64.67 -43.41 93.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.915 176.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 83' ' ' THR . 98.1 mt -65.19 -40.02 93.67 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.197 176.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -63.26 -25.43 68.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.112 -176.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.98 -28.46 69.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.102 0.477 . . . . 0.0 110.508 176.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -111.27 -66.83 0.53 Allowed Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.441 -178.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.593 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 30.8 t70 -63.19 110.66 1.93 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.272 0.558 . . . . 0.0 110.632 -177.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.5 m -98.3 -4.45 35.05 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.21 -175.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.471 ' HB2' ' HB2' ' A' ' 95' ' ' ASP . 0.3 OUTLIER -91.77 -25.77 18.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.96 -173.79 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.43 40.68 12.65 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 -169.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.471 ' HB2' ' HB2' ' A' ' 93' ' ' ASP . 11.5 t0 -98.12 -0.59 44.1 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.43 -0.885 . . . . 0.0 111.248 -168.103 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.64 29.65 69.41 Favored Glycine 0 C--N 1.336 0.555 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.763 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.644 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 4.4 ptpp? -157.56 178.67 10.02 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 121.022 0.439 . . . . 0.0 110.329 -172.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.497 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 14.3 mm -114.57 109.29 27.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.301 169.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.76 137.13 46.54 Favored Glycine 0 N--CA 1.433 -1.538 0 N-CA-C 108.803 -1.719 . . . . 0.0 108.803 167.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.0 m -58.41 -39.91 76.37 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-O 121.287 0.565 . . . . 0.0 112.153 -174.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -80.96 -20.27 42.32 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.659 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.509 ' CD ' ' HA ' ' A' ' 91' ' ' ASP . 35.8 mt-10 -71.39 -33.57 69.61 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.789 173.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.562 ' CE2' HD11 ' A' ' 107' ' ' ILE . 26.6 t80 -69.6 -50.64 42.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.174 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.82 -34.72 65.58 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.566 176.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.88 -42.63 90.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.681 -0.259 . . . . 0.0 111.445 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.519 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 9.7 ptp -67.58 -27.35 66.85 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.082 0.468 . . . . 0.0 110.763 -178.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.562 HD11 ' CE2' ' A' ' 103' ' ' PHE . 99.3 mt -79.16 -34.15 16.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.784 0.802 . . . . 0.0 110.285 -177.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.9 tmmm? -87.28 -9.87 53.85 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.455 -176.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.659 -0.686 . . . . 0.0 110.969 179.128 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.181 0 N-CA-C 113.158 0.023 . . . . 0.0 113.158 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.497 HG21 ' OD2' ' A' ' 43' ' ' ASP . 35.5 mm -70.05 -29.88 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 171.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.46 ' HG ' ' CE1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -146.43 140.18 26.1 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.672 176.496 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.26 116.18 32.21 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 172.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -51.12 -37.62 47.12 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.898 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.35 -49.68 74.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.523 179.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -64.25 -48.53 75.41 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.22 0.534 . . . . 0.0 111.104 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.63 -48.54 85.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.395 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.4 m -60.56 -37.47 81.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.331 178.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.18 -55.48 34.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.76 -177.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.447 ' HB3' ' CD ' ' A' ' 33' ' ' LYS . . . -64.94 -36.34 84.09 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.49 -41.49 93.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 111.135 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.83 -21.54 57.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.024 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.63 -29.31 66.77 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.508 0.671 . . . . 0.0 109.898 177.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.528 ' HB3' ' HA ' ' A' ' 25' ' ' PHE . 20.2 m -104.72 50.95 0.78 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.731 -176.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -77.04 54.91 1.08 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 121.119 0.485 . . . . 0.0 111.129 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.12 136.18 15.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.388 -178.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -63.0 135.33 57.23 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.26 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.81 0.18 24.51 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.807 -0.633 . . . . 0.0 113.379 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.9 m -119.49 46.53 1.89 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.062 0.458 . . . . 0.0 111.102 -175.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.528 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 28.2 m-85 -95.98 113.69 25.33 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.343 176.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -74.61 85.67 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.496 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -60.0 -29.53 68.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.626 0.727 . . . . 0.0 110.016 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.537 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . 42.7 tttp -74.47 -52.67 11.34 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.918 -177.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.498 ' O ' ' HB3' ' A' ' 33' ' ' LYS . . . -55.11 -34.8 63.99 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.637 177.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -62.28 -57.11 12.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.075 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.537 ' CE2' ' HA ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -60.56 -36.08 77.6 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.58 0.705 . . . . 0.0 110.875 -175.83 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.442 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 5.4 t -86.31 -21.25 27.4 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.561 -170.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.534 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -87.03 -31.22 20.66 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 121.277 -0.169 . . . . 0.0 111.112 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.534 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 15.7 m -91.51 -8.29 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -176.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.28 27.82 32.23 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.087 -178.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.418 ' HB2' ' CG2' ' A' ' 34' ' ' VAL . 14.9 tp -83.28 -16.92 44.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.927 0.394 . . . . 0.0 110.933 -175.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.468 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . . . -81.97 -5.23 58.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.076 0.465 . . . . 0.0 111.096 -178.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.76 38.01 3.44 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.165 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.476 ' HD2' ' CG ' ' A' ' 43' ' ' ASP . 62.3 mmtt -97.18 141.6 30.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.583 0.706 . . . . 0.0 112.357 -175.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 m -81.74 157.2 69.78 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.699 175.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_exo -44.99 -46.84 12.68 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.136 2.557 . . . . 0.0 113.862 -177.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.21 -29.75 70.84 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.875 0.369 . . . . 0.0 111.767 -177.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.682 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 11.1 t0 -75.9 -47.67 24.42 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.8 mm -62.73 -22.88 31.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.261 175.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.612 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 22.0 tptm -68.71 -42.33 77.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.986 0.422 . . . . 0.0 110.632 175.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.682 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -71.34 -26.49 62.85 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.397 -0.921 . . . . 0.0 109.147 175.275 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.707 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 86.8 t -65.54 -34.2 68.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.99 172.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.612 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -50.53 -47.4 57.59 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 169.091 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -62.07 -23.07 66.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.261 178.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.707 ' HB ' ' O ' ' A' ' 47' ' ' VAL . 0.3 OUTLIER -65.26 -59.3 4.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 176.764 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.632 ' HB ' HG12 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -71.53 -31.45 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 -178.205 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.595 ' CG ' ' HA ' ' A' ' 55' ' ' LYS . 10.9 t0 -82.06 74.86 9.02 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 177.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.63 ' OE1' ' HB2' ' A' ' 70' ' ' ASN . 50.2 tp60 -50.0 -47.03 53.18 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.924 0.869 . . . . 0.0 110.75 178.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.482 ' HB3' ' OE2' ' A' ' 63' ' ' GLU . 17.7 t70 -84.9 -8.71 58.66 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.965 -179.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.595 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 12.5 ptmm? 41.17 65.7 0.78 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 173.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.7 m -124.12 30.18 6.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.403 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 69.41 8.91 7.04 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.216 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -143.91 127.08 16.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.433 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.632 HG12 ' HB ' ' A' ' 51' ' ' ILE . 57.6 t -112.22 100.73 11.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.611 -172.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -93.48 174.11 7.36 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.61 0.226 . . . . 0.0 111.61 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -64.06 -36.83 85.28 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.612 0.244 . . . . 0.0 111.135 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -50.95 -30.21 14.28 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.429 0.633 . . . . 0.0 110.397 176.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.541 ' O ' ' HB3' ' A' ' 67' ' ' PHE . 44.0 mt-10 -86.2 -40.52 15.52 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.017 -177.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.556 ' HG ' ' CD2' ' A' ' 87' ' ' LEU . 4.5 mm? -58.33 -18.19 25.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.883 0.373 . . . . 0.0 111.074 176.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.475 ' O ' HD21 ' A' ' 68' ' ' LEU . 23.0 mmtp -67.15 -58.78 4.23 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.833 177.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -102.29 4.66 39.39 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -176.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.541 ' HB3' ' O ' ' A' ' 63' ' ' GLU . 0.8 OUTLIER -57.68 -24.95 59.37 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.261 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.692 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 2.8 mm? -59.57 -55.88 28.98 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.31 176.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -60.97 -21.47 63.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.103 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.63 ' HB2' ' OE1' ' A' ' 53' ' ' GLN . 35.9 t30 -74.76 -38.97 62.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.18 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.577 ' CD1' HG13 ' A' ' 50' ' ' ILE . 5.1 t80 -84.72 -42.02 15.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.279 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.9 m -152.57 135.65 15.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.17 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.44 -22.31 62.72 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -172.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -100.57 26.3 25.09 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.3 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.498 ' CB ' ' HB3' ' A' ' 68' ' ' LEU . . . -91.88 154.5 18.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.897 0.379 . . . . 0.0 110.928 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.692 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 29.2 mmm180 -95.38 127.14 41.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.725 -175.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.55 131.2 47.32 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.026 0.441 . . . . 0.0 110.508 178.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.435 ' HG ' HD23 ' A' ' 68' ' ' LEU . 59.3 mt -82.15 117.95 22.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.851 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.7 p -123.75 130.49 52.72 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -175.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.23 -92.88 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.649 175.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.04 -45.29 27.68 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -169.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.8 pm0 -69.34 -31.31 69.67 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.946 -178.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -42.73 85.57 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 173.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -60.4 -54.1 49.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.106 -177.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 48.8 t -66.95 -43.74 89.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.866 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -61.02 -41.38 96.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.011 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.556 ' CD2' ' HG ' ' A' ' 64' ' ' LEU . 65.2 mt -62.46 -54.06 45.69 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 176.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -63.46 -17.42 62.7 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -176.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.27 -34.56 72.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.001 0.429 . . . . 0.0 110.109 175.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.452 ' N ' ' HE1' ' A' ' 106' ' ' MET . . . -114.74 -48.84 0.53 Allowed Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.808 179.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 27.2 t70 -60.95 102.11 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 178.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.8 p -96.51 -21.56 17.63 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.89 0.376 . . . . 0.0 110.637 -174.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -84.06 -6.59 59.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.361 0.601 . . . . 0.0 110.774 -179.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 67.34 48.55 57.58 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.263 -0.881 . . . . 0.0 113.54 171.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.59 ' OD2' ' HB3' ' A' ' 97' ' ' LYS . 2.5 p-10 -109.16 -9.07 15.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.817 0.341 . . . . 0.0 110.472 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.97 28.81 17.04 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.215 176.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.59 ' HB3' ' OD2' ' A' ' 95' ' ' ASP . 0.0 OUTLIER -138.68 146.94 42.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.154 0.502 . . . . 0.0 110.235 -175.484 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.526 ' O ' ' HB ' ' A' ' 59' ' ' VAL . 26.2 mm -93.02 98.48 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.279 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.83 175.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.46 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -63.66 139.84 43.76 Favored Glycine 0 N--CA 1.435 -1.41 0 N-CA-C 108.118 -1.993 . . . . 0.0 108.118 165.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.461 HG21 ' CD1' ' A' ' 48' ' ' PHE . 92.4 t -63.23 -40.17 88.03 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.286 0 CA-C-N 117.719 0.759 . . . . 0.0 110.84 -175.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -68.31 -33.25 73.98 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.155 173.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 99' ' ' GLY . 11.3 mm-40 -61.13 -44.03 97.96 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.354 0.597 . . . . 0.0 109.658 173.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.475 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . 26.0 t80 -64.78 -44.52 89.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.354 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.38 -31.86 63.36 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.187 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.39 -41.63 80.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.878 -0.161 . . . . 0.0 110.996 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.452 ' HE1' ' N ' ' A' ' 90' ' ' GLY . 5.6 ptp -71.64 -19.3 62.12 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.939 0.4 . . . . 0.0 110.578 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.474 HD13 ' CE2' ' A' ' 103' ' ' PHE . 83.7 mt -82.32 -33.51 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.724 0.773 . . . . 0.0 109.926 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.9 tmmm? -90.37 -21.69 21.85 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.646 -176.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.73 -0.652 . . . . 0.0 110.718 179.539 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.675 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.462 HG22 ' OD2' ' A' ' 43' ' ' ASP . 34.9 mm -62.03 -32.29 53.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-O 121.51 0.671 . . . . 0.0 109.234 175.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.465 HD13 ' O ' ' A' ' 7' ' ' LEU . 3.7 pp -145.48 150.57 36.71 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.875 169.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -100.27 107.82 19.73 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 172.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -47.32 -37.84 11.66 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.936 -176.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.85 -49.25 73.51 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.363 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.12 -38.61 72.3 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 120.902 0.382 . . . . 0.0 111.443 -177.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 7' ' ' LEU . 1.7 mp -62.48 -46.15 97.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.868 176.169 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 54.3 m -64.4 -37.54 87.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.185 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.73 -46.67 88.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.724 0.297 . . . . 0.0 111.095 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.65 -40.34 80.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.046 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.1 mt -65.86 -41.09 92.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.217 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.67 -24.98 58.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.936 0.398 . . . . 0.0 111.122 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.34 -15.47 61.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.079 0.466 . . . . 0.0 110.309 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 55.4 m -115.91 18.86 15.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.27 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 76' ' ' ARG . 40.6 ttmt -64.02 -34.36 77.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.118 -174.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.97 132.72 34.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.543 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.58 114.65 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.327 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.49 -15.5 29.69 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.464 -175.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.6 t -96.98 19.75 12.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.203 0.525 . . . . 0.0 110.065 178.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -81.0 129.69 34.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.479 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -123.91 90.53 3.29 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.542 175.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.411 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 36.4 t60 -46.53 -54.9 8.43 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.317 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.572 ' O ' HG21 ' A' ' 32' ' ' THR . 87.7 tttt -72.17 -46.32 56.84 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.438 -173.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.13 -33.74 69.48 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.488 177.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.614 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 90.1 t80 -55.7 -60.37 3.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.616 176.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.429 ' CE1' HG12 ' A' ' 107' ' ' ILE . 81.3 m-85 -67.23 -36.65 82.11 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -174.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.572 HG21 ' O ' ' A' ' 28' ' ' LYS . 10.2 t -76.34 -32.02 58.44 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.615 -178.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.452 ' HZ3' ' HB2' ' A' ' 33' ' ' LYS . 4.2 ttmp? -80.86 -35.17 33.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.204 0.526 . . . . 0.0 110.174 178.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.614 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -74.92 -23.04 17.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.742 -178.288 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.92 26.72 30.86 Favored Glycine 0 C--N 1.333 0.37 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.439 177.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.515 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 11.7 tp -92.57 -12.71 31.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.854 0.359 . . . . 0.0 111.249 -175.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.04 -24.68 59.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.879 0.371 . . . . 0.0 111.667 -175.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.05 32.28 4.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.072 0.463 . . . . 0.0 111.164 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HG3' HD13 ' A' ' 36' ' ' LEU . 69.8 mmtt -88.54 140.21 29.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.198 0.523 . . . . 0.0 111.96 -178.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.1 m -80.69 158.57 70.72 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.105 177.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -43.51 -45.27 10.56 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.356 2.704 . . . . 0.0 114.052 -177.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.14 84.64 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.528 ' O ' HG21 ' A' ' 47' ' ' VAL . 12.1 t0 -72.53 -47.35 49.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -178.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.5 mm -62.95 -22.69 31.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.056 0.455 . . . . 0.0 110.868 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 45' ' ' LYS . 21.3 tptm -69.06 -48.19 63.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.885 0.374 . . . . 0.0 110.405 176.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.581 ' O ' HD12 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -67.09 -25.48 66.24 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.425 -0.91 . . . . 0.0 109.165 175.62 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.652 ' O ' HD12 ' A' ' 51' ' ' ILE . 71.2 t -65.6 -35.04 74.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.449 173.336 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.509 ' HB2' ' CG1' ' A' ' 100' ' ' VAL . 0.0 OUTLIER -52.57 -42.19 64.25 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.241 0.544 . . . . 0.0 109.54 170.412 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -72.67 -16.73 61.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.228 178.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.642 ' HB ' ' O ' ' A' ' 47' ' ' VAL . 0.2 OUTLIER -66.74 -50.69 63.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.832 -0.167 . . . . 0.0 111.336 175.305 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.705 ' HB ' ' CG1' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -73.15 -27.91 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.671 179.14 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -87.55 66.89 9.17 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 174.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -58.89 -33.15 70.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.095 0.474 . . . . 0.0 111.285 -175.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -78.46 -19.67 52.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.083 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt 56.83 63.29 1.98 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.417 0.627 . . . . 0.0 110.526 -173.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 55.7 p -124.78 5.2 8.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.361 -173.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 56' ' ' SER . 24.6 m-20 76.06 -0.73 3.08 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.315 0.646 . . . . 0.0 111.259 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -129.76 130.43 45.38 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 172.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.802 ' HA ' ' OE1' ' A' ' 63' ' ' GLU . 79.7 t -111.74 91.82 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.373 -173.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.47 ' O ' ' HB3' ' A' ' 63' ' ' GLU . 46.4 mt-10 -93.6 166.14 12.39 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -177.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -62.55 -40.58 97.28 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 111.3 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.04 -22.01 60.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.28 0.562 . . . . 0.0 110.695 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.802 ' OE1' ' HA ' ' A' ' 59' ' ' VAL . 38.1 tt0 -88.48 -39.35 14.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.192 177.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.562 ' O ' ' HD2' ' A' ' 67' ' ' PHE . 0.5 OUTLIER -61.09 -18.95 60.68 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-O 121.152 0.501 . . . . 0.0 110.85 175.148 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.435 ' HE3' ' OG ' ' A' ' 79' ' ' SER . 12.7 mptt -56.58 -48.36 77.55 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.97 174.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -103.0 4.93 37.9 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -177.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.568 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 0.3 OUTLIER -62.44 -24.63 67.54 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.486 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.536 ' H ' HD23 ' A' ' 68' ' ' LEU . 1.7 mm? -63.35 -46.7 85.37 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.675 177.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -66.01 -18.45 65.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.109 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -83.45 -41.39 18.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.009 178.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -72.39 -34.27 67.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.992 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.0 m -153.98 125.29 7.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.308 174.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.47 -32.08 68.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.808 -170.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -103.7 26.27 23.94 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.348 -0.929 . . . . 0.0 112.926 -178.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.46 156.77 21.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.066 0.46 . . . . 0.0 111.102 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -90.58 140.41 29.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.251 -179.023 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.03 139.24 41.36 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.055 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.528 ' HG ' HD21 ' A' ' 68' ' ' LEU . 12.8 mt -95.76 113.43 25.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.903 -179.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.435 ' OG ' ' HE3' ' A' ' 65' ' ' LYS . 50.6 m -145.56 86.82 1.76 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.265 0.555 . . . . 0.0 111.244 177.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -178.47 -154.24 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.82 -16.27 62.88 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 120.964 0.412 . . . . 0.0 110.42 177.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -73.63 -41.9 62.16 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.147 -173.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.84 -46.29 85.7 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.897 176.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -58.76 -56.78 17.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.689 -175.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 77.8 t -63.61 -46.13 95.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.015 0.436 . . . . 0.0 111.319 -177.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -64.88 -35.01 79.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.949 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.8 tp -70.05 -45.57 66.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.092 176.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.562 ' NZ ' ' HA2' ' A' ' 94' ' ' GLY . 73.4 mmtt -64.8 -17.11 63.92 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.916 -178.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.71 -26.35 63.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.22 0.533 . . . . 0.0 110.081 173.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -113.11 -51.1 0.52 Allowed Glycine 0 N--CA 1.443 -0.835 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.387 175.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -60.28 93.35 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.126 0.489 . . . . 0.0 110.468 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.7 m -99.94 -7.08 25.63 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.258 0.551 . . . . 0.0 110.296 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -86.85 -24.21 25.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.973 -176.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.562 ' HA2' ' NZ ' ' A' ' 88' ' ' LYS . . . 79.92 20.27 68.33 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.951 -178.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -100.43 -6.49 25.54 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -175.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 91.78 30.93 9.79 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 120.138 -1.029 . . . . 0.0 113.254 170.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 20.2 ptmt -147.08 169.33 19.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.552 0.691 . . . . 0.0 111.08 -174.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.535 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 31.7 mm -118.97 107.34 21.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.282 178.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -65.51 141.11 41.98 Favored Glycine 0 N--CA 1.434 -1.436 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 164.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.509 ' CG1' ' HB2' ' A' ' 48' ' ' PHE . 83.4 t -59.49 -40.2 81.23 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 CA-C-N 117.591 0.696 . . . . 0.0 111.136 -175.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -64.06 -30.5 71.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.654 174.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -68.49 -37.29 79.98 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.156 0.503 . . . . 0.0 109.688 175.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.598 ' O ' HG13 ' A' ' 107' ' ' ILE . 26.8 t80 -71.5 -47.32 56.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.249 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.78 -39.8 78.22 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.613 177.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.16 -34.43 78.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.73 -0.235 . . . . 0.0 111.163 177.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.42 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 4.9 ptp -80.38 -18.69 48.23 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-O 120.913 0.387 . . . . 0.0 110.655 -178.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.598 HG13 ' O ' ' A' ' 103' ' ' PHE . 78.5 mt -75.58 -32.02 24.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.897 0.856 . . . . 0.0 108.871 176.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -87.78 -30.65 20.1 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.404 -1.271 . . . . 0.0 110.915 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.347 -0.835 . . . . 0.0 110.515 178.495 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.206 0 CA-C-O 120.332 -0.149 . . . . 0.0 113.363 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.9 mt -53.82 -42.76 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.545 0.688 . . . . 0.0 109.894 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.16 136.86 26.99 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.147 -0.933 . . . . 0.0 108.989 174.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -98.73 130.94 45.22 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -48.02 -49.33 31.45 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.696 0.76 . . . . 0.0 109.621 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.58 -46.64 83.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.301 -1.318 . . . . 0.0 112.16 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.17 -46.13 82.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.951 0.405 . . . . 0.0 111.483 -175.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.405 HG12 ' CD1' ' A' ' 71' ' ' PHE . 1.8 mp -63.9 -45.98 95.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.283 178.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.4 m -60.15 -35.68 75.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.01 178.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.11 94.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.299 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.32 -40.54 74.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.033 0.444 . . . . 0.0 110.203 178.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.5 mt -65.29 -23.65 67.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.209 178.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.36 -27.6 25.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.876 177.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.44 -43.28 70.2 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 121.423 0.63 . . . . 0.0 110.322 -177.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.49 ' HB2' ' HA ' ' A' ' 25' ' ' PHE . 21.6 p -122.41 58.07 1.07 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.168 -179.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -81.36 -11.01 59.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.078 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.405 ' HB3' ' HB2' ' A' ' 24' ' ' SER . . . -73.78 117.9 16.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -62.69 120.43 11.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.02 6.11 56.07 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 -176.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.405 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 36.9 m -141.65 23.48 2.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.883 0.373 . . . . 0.0 110.474 178.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.49 ' HA ' ' HB2' ' A' ' 19' ' ' CYS . 54.4 t80 -69.27 126.58 30.2 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -108.66 84.93 2.01 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.433 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 5.6 p80 -54.63 -32.23 58.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.302 -176.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.524 ' O ' HG23 ' A' ' 32' ' ' THR . 73.0 tttt -78.09 -42.26 32.67 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.522 -176.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.88 -36.87 70.59 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 174.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.433 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 65.2 t80 -55.47 -55.13 35.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.397 175.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.414 ' CD2' ' HA ' ' A' ' 107' ' ' ILE . 24.6 m-85 -62.28 -46.99 86.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.908 -176.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 28' ' ' LYS . 7.6 t -71.46 -21.73 61.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.82 0.343 . . . . 0.0 111.59 -177.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -84.39 -44.1 14.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.694 0.283 . . . . 0.0 111.124 -178.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.5 m -76.27 -15.95 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 CA-C-O 120.842 0.353 . . . . 0.0 111.327 -178.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.65 17.98 29.2 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.576 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.436 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 14.9 tp -91.51 8.27 37.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.882 0.372 . . . . 0.0 111.232 -175.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.8 -24.87 16.88 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.146 0.498 . . . . 0.0 109.745 171.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -112.35 27.54 9.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.99 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -74.65 177.82 5.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.391 179.552 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.1 m -113.69 164.73 15.11 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.052 173.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -45.13 -46.31 13.63 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.162 2.575 . . . . 0.0 114.361 -177.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.71 -34.08 77.47 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.718 0.294 . . . . 0.0 111.723 -176.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.592 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 4.6 m-20 -62.72 -57.68 10.12 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.733 0.778 . . . . 0.0 109.697 -178.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.403 HG21 ' CE1' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -67.84 -26.59 35.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.774 -176.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 43.3 tptt -61.96 -45.95 91.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.01 0.433 . . . . 0.0 110.396 179.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.592 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -72.82 -24.6 60.93 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.325 -0.55 . . . . 0.0 109.853 179.428 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.583 ' O ' HD12 ' A' ' 51' ' ' ILE . 97.8 t -66.51 -34.9 73.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.814 174.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.498 ' HA ' HD11 ' A' ' 51' ' ' ILE . 19.6 m-30 -59.54 -37.66 79.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.886 173.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -69.63 -19.53 63.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.134 176.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.528 ' CD1' ' HA ' ' A' ' 47' ' ' VAL . 61.9 mt -73.87 -47.28 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -64.62 -30.21 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.49 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.537 ' CG ' ' HA ' ' A' ' 55' ' ' LYS . 38.8 t0 -86.76 69.44 10.31 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 169.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -49.43 -50.51 40.51 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.33 -174.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -76.9 -19.12 57.8 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.119 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.537 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 25.8 ttpp 59.87 66.95 0.92 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.731 0.777 . . . . 0.0 112.427 175.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.2 m -127.91 31.7 5.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.616 177.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 69.5 12.2 8.16 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.541 0.736 . . . . 0.0 111.802 177.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -144.22 131.95 21.27 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.592 ' O ' HG21 ' A' ' 59' ' ' VAL . 0.5 OUTLIER -127.42 94.5 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-O 122.11 0.957 . . . . 0.0 110.307 -174.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.521 ' HG2' ' H ' ' A' ' 61' ' ' GLU . 30.9 tt0 -93.35 178.51 5.7 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.911 -173.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.521 ' H ' ' HG2' ' A' ' 60' ' ' GLU . 8.2 tt0 -56.8 -41.54 77.93 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.41 -30.08 68.21 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.343 0.592 . . . . 0.0 110.413 178.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.543 ' O ' ' HB3' ' A' ' 67' ' ' PHE . 40.6 mt-10 -79.89 -42.84 23.35 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.331 177.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.515 ' HG ' ' CD2' ' A' ' 87' ' ' LEU . 3.3 mm? -62.79 -18.45 62.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.491 0.662 . . . . 0.0 110.537 175.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.517 ' O ' HD22 ' A' ' 68' ' ' LEU . 1.4 tppt? -72.68 -52.79 13.83 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.844 178.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.45 HD23 ' NE2' ' A' ' 69' ' ' GLN . 30.6 mt -102.79 4.81 38.3 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -176.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.543 ' HB3' ' O ' ' A' ' 63' ' ' GLU . 1.0 OUTLIER -61.43 -24.4 66.51 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.696 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.517 HD22 ' O ' ' A' ' 65' ' ' LYS . 2.5 mm? -60.62 -43.63 97.27 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.027 174.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.45 ' NE2' HD23 ' A' ' 66' ' ' LEU . 78.8 mt-30 -70.7 -15.11 62.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.969 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -86.06 -34.8 20.6 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.405 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -66.52 -48.13 70.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.416 174.9 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 49.1 m -150.83 132.8 15.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.0 176.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.89 -31.8 51.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.411 -0.813 . . . . 0.0 113.074 -170.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -114.6 72.05 0.24 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.58 -0.819 . . . . 0.0 111.924 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -122.94 148.9 44.94 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.594 0.235 . . . . 0.0 111.166 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.511 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 5.7 mpt_? -71.94 130.18 40.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.046 177.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.69 120.13 18.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.26 175.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.501 ' O ' ' HD3' ' A' ' 65' ' ' LYS . 6.4 mp -63.19 116.3 5.29 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.103 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.541 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 13.1 p -111.34 155.63 22.79 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -171.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.9 t70 54.47 -109.75 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.999 -1.0 . . . . 0.0 112.704 171.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.546 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -80.36 -20.8 43.3 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -170.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 79' ' ' SER . 2.6 mm-40 -64.6 -52.33 58.06 Favored 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.85 -39.65 81.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.182 177.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -58.18 -61.6 2.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.835 -177.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' ' 81' ' ' ALA . 7.6 p -71.12 -27.93 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.963 0.411 . . . . 0.0 110.826 -176.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -69.78 -38.1 76.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.267 177.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.515 ' CD2' ' HG ' ' A' ' 64' ' ' LEU . 64.4 mt -64.53 -43.55 93.64 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 175.141 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -64.14 -28.45 69.77 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.835 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.75 -37.53 71.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.11 0.481 . . . . 0.0 110.907 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.464 ' N ' ' HE1' ' A' ' 106' ' ' MET . . . -107.08 -53.17 0.7 Allowed Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.145 -178.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -78.25 113.91 16.65 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.8 t -86.11 -14.27 44.72 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.142 0.496 . . . . 0.0 109.881 -172.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.8 -27.39 44.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.387 0.613 . . . . 0.0 109.512 178.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 68.29 30.68 73.63 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -174.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.576 ' OD1' ' HG2' ' A' ' 97' ' ' LYS . 2.8 p30 -80.14 -8.47 59.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.673 0.273 . . . . 0.0 111.623 -172.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.22 -9.26 53.96 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.523 -0.846 . . . . 0.0 113.184 175.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.576 ' HG2' ' OD1' ' A' ' 95' ' ' ASP . 4.1 ptpp? -117.57 159.62 22.59 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.541 ' HB ' ' CG2' ' A' ' 59' ' ' VAL . 16.1 mm -101.5 110.25 27.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.002 176.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.474 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -61.12 137.77 47.94 Favored Glycine 0 N--CA 1.437 -1.26 0 N-CA-C 108.775 -1.73 . . . . 0.0 108.775 166.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.3 m -55.09 -44.81 76.02 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.121 0 CA-C-N 117.95 0.875 . . . . 0.0 111.798 -174.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.44 -17.67 53.79 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.748 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.474 ' HB2' ' O ' ' A' ' 99' ' ' GLY . 7.7 mm-40 -63.21 -43.97 96.62 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 170.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.553 ' CE2' HD13 ' A' ' 107' ' ' ILE . 25.6 t80 -63.05 -48.19 79.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.508 -179.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.86 -34.28 61.17 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.256 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.88 -30.71 65.69 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.469 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 7.6 ptp -77.32 -23.52 50.95 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.931 0.396 . . . . 0.0 110.45 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.553 HD13 ' CE2' ' A' ' 103' ' ' PHE . 66.6 mt -80.03 -37.46 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.697 0.761 . . . . 0.0 109.824 -178.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.411 ' HE3' ' HB3' ' A' ' 108' ' ' LYS . 0.6 OUTLIER -84.74 -12.74 53.13 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.564 -178.662 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.678 -0.677 . . . . 0.0 110.935 178.304 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.451 HG21 ' OD2' ' A' ' 43' ' ' ASP . 25.3 mm -59.85 -36.24 65.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 173.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.68 142.98 33.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.497 176.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -101.07 109.15 21.01 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 176.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -51.26 -35.54 37.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.106 -177.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.81 -45.85 80.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.334 178.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.95 -42.84 97.2 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.104 0.478 . . . . 0.0 110.746 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.444 ' O ' HD22 ' A' ' 16' ' ' LEU . 1.8 mp -59.79 -55.46 23.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.072 175.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.2 m -54.13 -35.55 62.32 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.646 178.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.33 -44.57 96.97 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.878 0.37 . . . . 0.0 110.64 178.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.89 96.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.515 176.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.444 HD22 ' O ' ' A' ' 12' ' ' ILE . 4.4 mm? -64.84 -24.49 67.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.028 177.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.77 -36.82 62.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.857 0.36 . . . . 0.0 110.903 178.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.06 -28.85 39.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.061 0.458 . . . . 0.0 110.662 178.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.541 ' SG ' ' HA ' ' A' ' 25' ' ' PHE . 62.3 m -116.67 63.1 0.72 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.425 -178.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -109.39 2.77 20.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.194 0.521 . . . . 0.0 110.439 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.49 139.57 46.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.007 -177.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -64.26 115.55 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.955 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.06 -24.07 19.63 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 111.431 -0.668 . . . . 0.0 111.431 -176.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.8 t -96.26 -4.26 42.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.78 0.324 . . . . 0.0 110.452 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.541 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 50.5 p90 -80.55 146.73 31.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.023 0.439 . . . . 0.0 111.14 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -137.57 102.18 4.69 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 169.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -53.13 -36.76 61.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.724 -175.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.471 ' O ' HG22 ' A' ' 32' ' ' THR . 2.8 tmmm? -67.38 -50.67 58.77 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.853 -178.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.5 -34.56 64.72 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.061 177.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -56.69 -58.89 6.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.945 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -68.04 -35.96 79.1 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -174.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 28' ' ' LYS . 9.7 t -75.22 -23.26 57.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.784 0.326 . . . . 0.0 111.129 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -83.43 -46.57 12.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.737 -178.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.2 m -72.8 -10.27 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 CA-C-O 120.981 0.42 . . . . 0.0 110.938 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.18 24.85 60.58 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.516 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.461 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 11.5 tp -81.49 -18.98 43.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.099 0.476 . . . . 0.0 110.462 -178.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.74 -15.54 63.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.559 -178.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.84 38.68 3.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.912 0.387 . . . . 0.0 110.939 -178.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.461 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 29.8 mmtp -99.37 165.72 11.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.313 0.578 . . . . 0.0 112.021 -178.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.2 m -100.34 159.52 29.52 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.068 178.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -43.5 -49.19 7.89 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.43 2.753 . . . . 0.0 114.115 -177.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.88 -35.45 80.04 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.997 0.427 . . . . 0.0 111.721 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.62 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 10.1 t70 -70.76 -45.48 64.71 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -178.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.491 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 4.5 mt -71.52 -20.94 21.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.856 177.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.579 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 49.8 tptt -63.13 -45.37 92.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.99 0.424 . . . . 0.0 110.419 174.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.62 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -70.32 -22.91 62.77 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.703 -0.799 . . . . 0.0 109.362 175.624 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.58 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 78.0 t -66.72 -30.32 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.948 172.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.579 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -56.1 -47.39 78.13 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 168.918 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -64.72 -15.52 61.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.859 177.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.58 ' HB ' ' O ' ' A' ' 47' ' ' VAL . 32.9 mm -76.5 -53.72 14.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.553 HD13 ' O ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -70.18 -31.17 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 118.511 0.596 . . . . 0.0 109.483 177.465 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.564 ' CG ' ' HA ' ' A' ' 55' ' ' LYS . 8.5 t0 -83.56 77.37 9.85 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 174.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -57.06 -32.97 66.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.634 0.73 . . . . 0.0 109.743 -178.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.46 -2.29 36.4 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.223 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.564 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 20.1 pttm 39.21 66.01 0.61 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 175.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 68.4 m -121.54 25.57 9.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.092 177.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 56' ' ' SER . 29.2 m-20 78.03 -2.08 2.5 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.059 0.944 . . . . 0.0 111.703 176.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -137.28 136.99 38.53 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 175.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.589 HG22 ' H ' ' A' ' 98' ' ' ILE . 1.3 m -117.09 113.88 44.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-O 121.274 0.559 . . . . 0.0 109.561 -177.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -93.01 -177.38 4.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.258 -176.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -70.35 -47.1 62.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.809 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -58.17 -26.44 62.74 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.137 0.494 . . . . 0.0 110.008 177.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.401 ' OE2' ' HA ' ' A' ' 59' ' ' VAL . 27.8 mt-10 -72.26 -51.53 20.53 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.611 174.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.56 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -63.61 -18.87 64.36 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 111.578 -179.845 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.471 ' O ' HD23 ' A' ' 68' ' ' LEU . 20.1 mmtp -60.11 -54.75 42.23 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.218 0.532 . . . . 0.0 110.608 173.217 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.441 HD21 HE21 ' A' ' 69' ' ' GLN . 45.0 mt -103.93 5.15 35.42 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.378 -175.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.56 ' HD1' ' O ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -61.89 -24.22 66.8 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.769 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 2.4 mm? -60.95 -46.91 88.82 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.108 174.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.441 HE21 HD21 ' A' ' 66' ' ' LEU . 38.7 mt-30 -71.46 -12.41 61.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.917 179.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.449 ' HB3' ' O ' ' A' ' 67' ' ' PHE . 53.1 t30 -83.12 -33.29 26.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.249 175.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -82.51 -45.34 14.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.447 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.7 t -150.92 148.1 28.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.107 0.48 . . . . 0.0 110.772 -179.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.47 -8.42 59.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.167 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -107.46 15.2 38.8 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.122 179.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.428 ' HA ' ' HG ' ' A' ' 16' ' ' LEU . . . -95.45 155.11 16.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.917 0.389 . . . . 0.0 111.146 -177.484 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.589 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 29.2 mmm180 -106.5 148.07 28.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.693 -176.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.65 123.6 24.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.787 0.327 . . . . 0.0 110.428 176.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.7 mp -67.68 154.1 42.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.433 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.4 p -97.17 -171.82 2.3 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -169.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -48.88 -73.27 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.853 0.861 . . . . 0.0 113.296 -172.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.586 ' O ' HG13 ' A' ' 85' ' ' VAL . . . -78.02 -22.32 49.44 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.246 -173.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -65.0 -57.44 8.69 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.508 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.556 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 6.8 m -57.82 -40.75 80.75 Favored 'General case' 0 C--O 1.226 -0.144 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.065 175.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -55.84 -60.07 3.99 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.062 -177.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.586 HG13 ' O ' ' A' ' 81' ' ' ALA . 10.1 p -74.48 -27.22 20.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.953 0.406 . . . . 0.0 110.93 -176.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -64.19 -36.02 82.7 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.339 -0.391 . . . . 0.0 109.972 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 83' ' ' THR . 79.8 mt -64.0 -42.28 97.22 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.107 0.479 . . . . 0.0 109.975 172.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -66.23 -17.93 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.263 -176.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.85 -23.41 67.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.137 0.494 . . . . 0.0 110.336 174.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.431 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -120.48 -59.86 0.24 Allowed Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.536 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.452 ' HA ' ' OE2' ' A' ' 102' ' ' GLU . 26.4 t0 -72.31 105.51 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 177.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.0 t -88.78 -14.31 37.39 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.405 0.621 . . . . 0.0 109.34 -174.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.25 -26.32 47.22 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.933 -176.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.48 36.7 22.71 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.777 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.527 ' HB2' ' HG2' ' A' ' 97' ' ' LYS . 58.0 m-20 -81.35 -21.04 39.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.122 0.487 . . . . 0.0 110.375 -178.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.03 24.82 23.92 Favored Glycine 0 C--N 1.33 0.199 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.684 -178.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.527 ' HG2' ' HB2' ' A' ' 95' ' ' ASP . 20.5 ptmt -134.92 178.83 6.71 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 122.929 0.491 . . . . 0.0 109.708 -175.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.589 ' H ' HG22 ' A' ' 59' ' ' VAL . 8.9 mm -127.12 109.53 20.79 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.016 168.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -68.3 138.1 32.06 Favored Glycine 0 N--CA 1.436 -1.337 0 N-CA-C 109.04 -1.624 . . . . 0.0 109.04 166.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.451 HG23 ' CD1' ' A' ' 48' ' ' PHE . 84.9 t -59.68 -41.78 86.36 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.101 0 CA-C-N 117.241 0.521 . . . . 0.0 111.008 -176.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -61.17 -37.91 84.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.228 0.537 . . . . 0.0 110.163 173.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.452 ' OE2' ' HA ' ' A' ' 91' ' ' ASP . 48.6 mt-10 -67.31 -39.27 85.9 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.356 178.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.572 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . 21.1 t80 -67.32 -46.66 72.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.174 178.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.54 -31.64 60.38 Favored Glycine 0 N--CA 1.452 -0.251 0 CA-C-N 115.938 -0.573 . . . . 0.0 112.326 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.17 -39.97 82.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.527 0.203 . . . . 0.0 110.999 177.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.42 ' HE1' ' N ' ' A' ' 90' ' ' GLY . 3.9 ptp -75.89 -20.11 58.31 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.722 0.296 . . . . 0.0 110.721 -178.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 103' ' ' PHE . 78.4 mt -78.56 -38.19 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.823 0.821 . . . . 0.0 109.517 178.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.8 tmmm? -83.06 -17.12 44.34 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.372 -1.285 . . . . 0.0 110.699 -176.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.499 -0.762 . . . . 0.0 110.96 -179.952 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.5 0 N-CA-C 112.321 -0.312 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.481 HG21 ' OD2' ' A' ' 43' ' ' ASP . 34.6 mm -61.93 -46.17 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.542 0.687 . . . . 0.0 109.57 177.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.401 ' N ' HD21 ' A' ' 7' ' ' LEU . 1.6 pt? -132.25 127.2 35.22 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.721 177.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -76.06 105.22 6.98 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 174.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -54.98 -36.17 65.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.576 -173.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.22 -42.33 98.41 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.497 177.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -71.29 -41.31 70.14 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.005 0.431 . . . . 0.0 110.832 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.07 -49.85 80.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.943 175.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.4 m -60.11 -37.4 79.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.001 178.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.4 -43.74 93.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.968 0.413 . . . . 0.0 111.166 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.94 -39.24 87.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.541 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.732 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 81.2 mt -68.04 -30.48 69.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.957 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.06 -29.27 66.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.285 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.35 -43.1 28.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.456 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.732 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 27.2 p -80.46 4.17 19.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.16 0.505 . . . . 0.0 110.995 -179.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -80.71 -18.53 47.55 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 171.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.47 109.75 18.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.756 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -68.15 113.25 5.64 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.479 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.06 3.16 33.91 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.667 -176.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.2 m -141.83 56.69 1.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.212 0.529 . . . . 0.0 110.663 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.54 ' HB3' ' OE1' ' A' ' 82' ' ' GLU . 61.1 m-85 -96.19 130.2 43.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.368 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -137.22 91.95 2.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.434 0.635 . . . . 0.0 109.717 173.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.47 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 4.7 t60 -69.27 -26.54 64.81 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.577 -176.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' O ' HG22 ' A' ' 32' ' ' THR . 39.2 ttpt -68.84 -46.96 67.2 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 176.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.442 ' HA ' ' CG2' ' A' ' 32' ' ' THR . . . -59.13 -30.46 68.15 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.324 176.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.476 ' O ' HG11 ' A' ' 34' ' ' VAL . 75.7 t80 -57.05 -57.08 14.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.225 176.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.508 ' CD2' ' HA ' ' A' ' 107' ' ' ILE . 29.0 m-85 -64.24 -38.89 92.66 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -176.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.443 HG22 ' O ' ' A' ' 28' ' ' LYS . 5.0 t -75.38 -21.93 57.89 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.381 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -86.74 -44.32 11.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.115 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.476 HG11 ' O ' ' A' ' 30' ' ' PHE . 22.0 m -69.13 -18.08 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 CA-C-O 120.798 0.333 . . . . 0.0 111.114 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.16 22.78 40.1 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.566 177.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 15.2 tp -96.1 12.39 30.86 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-O 121.012 0.434 . . . . 0.0 111.268 -176.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.51 -22.61 18.13 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 171.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -110.33 27.73 9.34 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.008 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -72.7 174.13 8.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.603 0.716 . . . . 0.0 112.727 178.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.5 m -109.65 163.3 17.41 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.153 175.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.494 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 94.1 Cg_exo -45.26 -51.35 7.91 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.934 2.423 . . . . 0.0 113.771 -178.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.55 -22.45 63.55 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.845 0.355 . . . . 0.0 111.774 -176.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.645 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 15.4 t0 -67.09 -49.7 64.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.577 0.703 . . . . 0.0 109.129 -178.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.521 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 2.5 mt -66.88 -19.3 25.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.246 177.256 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.774 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 27.0 mmtp -70.67 -37.03 73.62 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.895 -0.503 . . . . 0.0 111.313 175.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.645 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -72.59 -21.95 61.06 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.011 -1.076 . . . . 0.0 108.858 172.495 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.521 ' HB ' ' O ' ' A' ' 44' ' ' ILE . 92.1 t -68.75 -36.03 72.44 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.129 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.102 171.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.774 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 5.6 t80 -45.81 -48.14 15.71 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 169.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -69.63 -28.24 65.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.942 -1.026 . . . . 0.0 112.001 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.627 HG13 ' O ' ' A' ' 46' ' ' LYS . 51.0 mt -68.03 -54.29 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -175.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.633 ' HB ' HG12 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -63.85 -36.1 75.49 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.714 0 C-N-CA 119.581 -0.848 . . . . 0.0 109.175 -178.199 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.456 ' HA ' ' HG2' ' A' ' 63' ' ' GLU . 28.0 t0 -87.82 77.2 8.61 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 108.866 -0.791 . . . . 0.0 108.866 175.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.542 ' HA ' HD21 ' A' ' 70' ' ' ASN . 0.0 OUTLIER -59.74 -22.09 61.61 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -172.684 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -104.1 -4.42 23.23 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.521 0.2 . . . . 0.0 110.915 176.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt 45.41 65.62 1.09 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 172.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 22.2 p -130.07 22.24 5.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.266 174.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 56' ' ' SER . 1.6 m-20 78.79 17.46 0.99 Allowed 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.188 -0.915 . . . . 0.0 113.038 172.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -141.65 130.46 22.95 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 174.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.633 HG12 ' HB ' ' A' ' 51' ' ' ILE . 46.4 t -126.07 81.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.603 -172.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -79.63 -174.2 4.17 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.698 0.285 . . . . 0.0 111.271 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.17 -39.31 94.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.689 0.281 . . . . 0.0 111.012 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.23 -28.32 66.58 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.195 0.522 . . . . 0.0 110.569 176.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.47 ' HG3' ' H ' ' A' ' 53' ' ' GLN . 1.8 tp10 -69.35 -48.25 61.91 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.673 177.185 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.446 ' HA ' ' HB3' ' A' ' 67' ' ' PHE . 4.2 mm? -63.03 -19.75 64.67 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.193 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.524 ' O ' HD21 ' A' ' 68' ' ' LEU . 12.0 mptt -66.67 -51.1 59.89 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.083 0.468 . . . . 0.0 110.68 178.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 51.6 mt -102.75 4.52 38.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.202 0.525 . . . . 0.0 111.991 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.446 ' HB3' ' HA ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -60.43 -23.64 64.56 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 175.812 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 2.5 mm? -65.2 -40.2 93.87 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.833 174.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -67.79 -19.15 65.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.444 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.542 HD21 ' HA ' ' A' ' 53' ' ' GLN . 50.3 t-20 -83.6 -42.01 17.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.426 174.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.99 -46.52 88.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.74 -177.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.6 p -148.99 165.61 31.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.264 -177.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.86 -43.88 43.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.198 -177.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -107.95 80.78 0.28 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.445 179.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.405 ' HB3' ' HB3' ' A' ' 68' ' ' LEU . . . -121.65 165.28 15.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.962 0.411 . . . . 0.0 111.915 -174.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.607 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 1.2 mmp_? -110.27 125.89 53.6 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.824 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.21 119.91 12.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.937 0.399 . . . . 0.0 111.197 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.43 ' HG ' ' HG2' ' A' ' 82' ' ' GLU . 6.2 mp -65.71 134.56 53.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.893 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.2 m -147.58 -178.79 6.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.403 -179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.448 ' HB3' ' H ' ' A' ' 81' ' ' ALA . 1.8 m-20 65.12 -158.01 0.29 Allowed 'General case' 0 C--O 1.236 0.373 0 O-C-N 123.594 0.559 . . . . 0.0 110.609 -178.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.682 ' O ' HG13 ' A' ' 85' ' ' VAL . . . -55.41 -26.6 42.7 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -177.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.635 ' O ' ' HB2' ' A' ' 86' ' ' PHE . 8.3 tp10 -52.75 -51.92 58.6 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 122.604 0.362 . . . . 0.0 110.801 -177.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.821 ' O ' ' HB3' ' A' ' 87' ' ' LEU . 1.2 m -67.63 -30.35 69.89 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.821 -179.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -72.58 -61.73 1.7 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.179 0.514 . . . . 0.0 111.181 -175.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.682 HG13 ' O ' ' A' ' 81' ' ' ALA . 2.7 p -76.7 -35.77 25.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.605 -173.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.635 ' HB2' ' O ' ' A' ' 82' ' ' GLU . 22.8 m-85 -86.82 -18.41 31.07 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -174.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.821 ' HB3' ' O ' ' A' ' 83' ' ' THR . 0.1 OUTLIER -81.02 -26.73 36.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 166.303 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -70.09 -21.26 63.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.457 173.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.42 -23.58 50.32 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.172 0.51 . . . . 0.0 110.708 174.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.584 ' O ' ' HB3' ' A' ' 102' ' ' GLU . . . -103.83 -61.06 0.68 Allowed Glycine 0 N--CA 1.442 -0.916 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.875 -178.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -59.37 111.82 1.52 Allowed 'General case' 0 C--O 1.233 0.201 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 -177.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.5 m -87.09 -20.46 27.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.275 0.559 . . . . 0.0 110.181 -172.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.78 -25.75 32.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.171 -179.02 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 70.29 43.83 61.59 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -173.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.591 ' OD2' ' HG2' ' A' ' 97' ' ' LYS . 4.4 p-10 -107.52 -8.33 16.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.578 -0.311 . . . . 0.0 110.953 -173.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.33 28.73 5.96 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.705 -0.759 . . . . 0.0 114.176 169.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.591 ' HG2' ' OD2' ' A' ' 95' ' ' ASP . 8.5 ptpp? -152.89 146.5 25.06 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 121.685 0.755 . . . . 0.0 111.008 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.57 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 20.9 mm -88.67 100.45 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.816 174.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.456 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -62.16 138.11 45.73 Favored Glycine 0 N--CA 1.433 -1.524 0 N-CA-C 107.705 -2.158 . . . . 0.0 107.705 162.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.684 HG21 ' CD2' ' A' ' 48' ' ' PHE . 93.3 t -63.76 -37.8 80.63 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 CA-C-N 118.051 0.926 . . . . 0.0 110.938 -173.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -59.67 -44.16 93.69 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.578 172.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.584 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 5.3 mm-40 -57.08 -43.97 82.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.405 176.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.648 ' O ' HG13 ' A' ' 107' ' ' ILE . 17.3 t80 -62.21 -45.65 92.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.195 -179.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -54.33 -35.5 55.79 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.323 178.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.16 -32.92 71.11 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.476 ' HE3' ' N ' ' A' ' 90' ' ' GLY . 5.3 ptp -79.08 -22.73 44.86 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.95 0.405 . . . . 0.0 110.103 178.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.648 HG13 ' O ' ' A' ' 103' ' ' PHE . 67.1 mt -75.54 -35.63 32.58 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-O 121.899 0.857 . . . . 0.0 109.338 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.24 -31.85 20.06 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.965 -178.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.733 -0.651 . . . . 0.0 110.512 -179.619 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.05 45.79 2.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.256 0.55 . . . . 0.0 110.343 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.499 ' CZ ' ' HA ' ' A' ' 72' ' ' SER . 84.0 m-85 -111.8 -178.86 3.54 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.529 -177.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.54 154.96 25.98 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.231 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.96 4.6 22.57 Favored Glycine 0 C--N 1.33 0.197 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.479 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.498 ' CG2' ' HE3' ' A' ' 39' ' ' LYS . 56.2 mt -59.63 -32.6 49.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 121.601 0.715 . . . . 0.0 109.575 172.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -121.07 149.72 42.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.737 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -101.62 106.18 17.2 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 175.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -50.13 -37.98 36.93 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.386 -176.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.69 -41.15 96.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -72.54 -37.36 68.31 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 120.665 0.269 . . . . 0.0 110.943 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.57 -54.42 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.47 172.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.4 m -60.37 -39.21 86.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.509 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.93 -61.46 2.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.765 -178.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.44 -32.83 74.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.303 -177.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.695 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 67.6 mt -69.55 -31.32 69.45 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.82 0.343 . . . . 0.0 111.486 178.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.94 -29.06 64.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.001 0.429 . . . . 0.0 109.931 175.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.39 -42.06 19.14 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.134 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.695 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 31.9 p -81.95 45.37 0.91 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.774 0.797 . . . . 0.0 110.574 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.546 ' HZ1' ' HB3' ' A' ' 20' ' ' LYS . 8.1 ttpm? -115.36 -13.44 11.66 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.829 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.63 132.47 48.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.343 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.99 120.0 11.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.04 0.447 . . . . 0.0 110.561 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.65 -18.46 29.61 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 -175.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.1 m -108.7 51.02 0.76 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.14 -0.53 . . . . 0.0 109.76 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -102.26 58.0 0.81 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.023 -174.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -87.83 77.58 8.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 122.061 0.934 . . . . 0.0 109.243 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.624 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -84.84 -20.94 30.09 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.433 -175.241 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 16.1 mtmm -67.79 -33.06 74.08 Favored 'General case' 0 N--CA 1.423 -1.819 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 175.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.14 -31.63 72.92 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.948 173.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.624 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 51.5 t80 -57.01 -50.73 71.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.342 175.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.461 ' CD2' ' HA ' ' A' ' 28' ' ' LYS . 15.4 m-85 -60.18 -46.68 88.88 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.772 0.32 . . . . 0.0 111.096 -177.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.0 t -74.22 -21.75 59.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.636 -177.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -81.63 -48.66 11.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.835 0.35 . . . . 0.0 110.899 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.4 m -75.0 -8.54 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.562 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.86 19.43 53.8 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.508 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.7 tp -77.04 -21.7 54.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.804 0.335 . . . . 0.0 110.574 -175.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.05 -4.64 48.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.104 0.478 . . . . 0.0 110.455 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -116.95 44.27 2.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.765 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.498 ' HE3' ' CG2' ' A' ' 6' ' ' ILE . 15.5 mmtm -108.61 149.78 28.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.049 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.5 m -92.62 162.39 29.53 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 177.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.502 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 81.3 Cg_exo -42.87 -49.78 6.57 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.972 2.448 . . . . 0.0 113.332 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.93 -43.38 91.16 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 120.785 0.326 . . . . 0.0 111.586 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.727 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 37.1 m-20 -64.75 -48.08 75.86 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 44' ' ' ILE . 6.1 mm -61.46 -24.95 35.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.39 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.641 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 30.4 mmtp -77.6 -31.88 53.23 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 122.086 -0.384 . . . . 0.0 111.894 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.727 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -74.67 -30.85 61.73 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 173.249 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.644 ' O ' HD12 ' A' ' 51' ' ' ILE . 38.5 t -68.74 -30.92 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.653 174.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.641 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 2.0 t80 -52.18 -49.51 63.71 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.236 0.541 . . . . 0.0 110.196 169.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -66.75 -15.29 63.44 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.023 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.588 ' HA ' ' ND2' ' A' ' 70' ' ' ASN . 51.9 mt -75.68 -50.63 22.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 119.229 -0.415 . . . . 0.0 111.867 174.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.644 HD12 ' O ' ' A' ' 47' ' ' VAL . 0.1 OUTLIER -67.5 -22.1 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 176.677 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.596 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 38.9 t0 -93.25 62.89 3.54 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 170.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -65.35 -21.04 66.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.181 0.515 . . . . 0.0 110.581 -172.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.539 ' OD1' ' HG2' ' A' ' 63' ' ' GLU . 1.5 m-20 -85.06 -19.05 32.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.368 177.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.7 tptt 60.74 63.83 1.25 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 121.818 0.818 . . . . 0.0 109.686 -173.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.425 ' C ' ' H ' ' A' ' 58' ' ' PHE . 52.5 p -122.15 10.37 10.01 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.375 -173.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.7 t70 70.82 -3.26 2.03 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.576 0.75 . . . . 0.0 110.964 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.425 ' H ' ' C ' ' A' ' 56' ' ' SER . 92.9 m-85 -136.85 150.83 48.52 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 175.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.551 ' O ' HG21 ' A' ' 59' ' ' VAL . 0.4 OUTLIER -122.28 102.36 11.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.65 0.738 . . . . 0.0 110.455 -176.624 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.473 ' OE2' ' HE3' ' A' ' 97' ' ' LYS . 59.7 mm-40 -94.42 174.92 6.89 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.105 -179.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -58.98 -43.29 91.36 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.668 0.27 . . . . 0.0 111.64 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -60.62 -22.01 63.33 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.991 0.424 . . . . 0.0 111.199 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.539 ' HG2' ' OD1' ' A' ' 54' ' ' ASP . 44.1 mt-10 -81.92 -39.96 23.01 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 177.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.485 ' HG ' ' CD2' ' A' ' 87' ' ' LEU . 2.7 mm? -62.94 -19.19 64.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.95 0.405 . . . . 0.0 111.154 176.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -65.5 -52.57 51.79 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.008 177.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.493 HD11 ' NE2' ' A' ' 69' ' ' GLN . 1.4 mm? -103.07 3.86 36.51 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -179.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.619 ' CD1' ' HG ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -62.1 -26.82 68.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.381 0.61 . . . . 0.0 109.552 -177.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.619 ' HG ' ' CD1' ' A' ' 67' ' ' PHE . 0.7 OUTLIER -73.2 -34.02 65.72 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.424 -178.447 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.493 ' NE2' HD11 ' A' ' 66' ' ' LEU . 78.6 mt-30 -67.82 -23.74 65.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.345 0.593 . . . . 0.0 109.441 175.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.588 ' ND2' ' HA ' ' A' ' 50' ' ' ILE . 53.4 t30 -82.83 -29.09 29.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.562 176.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -71.84 -51.19 23.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.371 175.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.499 ' HA ' ' CZ ' ' A' ' 3' ' ' PHE . 50.4 m -148.03 141.13 24.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.885 178.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.64 -28.12 69.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.541 -170.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -110.15 47.27 1.06 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.281 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.412 ' HB2' HD11 ' A' ' 16' ' ' LEU . . . -101.09 157.61 16.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.874 0.369 . . . . 0.0 111.172 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.504 ' O ' HD12 ' A' ' 68' ' ' LEU . 20.3 mmt180 -92.36 142.34 27.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.498 -177.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.1 133.27 36.08 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 175.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 45.4 mt -74.81 142.87 44.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.595 -172.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.8 p -96.73 -171.49 2.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.969 -176.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -48.86 -66.64 0.37 Allowed 'General case' 0 CA--C 1.505 -0.771 0 O-C-N 123.68 0.612 . . . . 0.0 112.503 -174.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.5 -26.45 60.01 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.867 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.448 ' OE1' ' HB2' ' A' ' 19' ' ' CYS . 21.4 tp10 -66.77 -57.59 6.76 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.684 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.5 m -59.48 -37.55 78.54 Favored 'General case' 0 C--O 1.223 -0.329 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.185 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -59.06 -61.6 2.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.679 -177.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.98 -38.18 81.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.56 -176.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -60.45 -51.4 69.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.04 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.488 ' HA ' HD11 ' A' ' 98' ' ' ILE . 76.6 mt -57.25 -51.86 67.63 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 120.986 0.422 . . . . 0.0 110.082 178.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm -65.41 -15.45 62.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.771 -174.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.69 -37.23 63.02 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.539 ' CA ' ' HB3' ' A' ' 106' ' ' MET . . . -114.36 -42.46 0.82 Allowed Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.015 177.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.611 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 25.7 t0 -60.06 94.12 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.145 0.497 . . . . 0.0 109.985 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.8 m -96.97 -27.51 14.6 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.054 -175.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.627 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 15.0 p30 -83.0 -7.01 59.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.32 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.92 44.95 90.82 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.299 -0.864 . . . . 0.0 113.247 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 39.2 p-10 -109.22 20.07 18.73 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.9 28.81 73.28 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.318 -0.468 . . . . 0.0 112.908 171.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.518 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 6.5 ptmt -144.14 167.01 23.42 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -174.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.509 ' HB ' HG22 ' A' ' 59' ' ' VAL . 25.0 mm -105.71 98.06 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 170.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.65 137.43 48.67 Favored Glycine 0 N--CA 1.433 -1.51 0 N-CA-C 107.159 -2.376 . . . . 0.0 107.159 166.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.494 HG11 ' CD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -70.61 -18.56 21.21 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 CA-C-N 118.599 1.2 . . . . 0.0 110.841 -170.465 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -81.0 -34.32 33.01 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.038 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.503 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 16.1 mt-10 -62.52 -38.09 88.61 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 170.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.711 ' O ' ' HG2' ' A' ' 106' ' ' MET . 18.2 t80 -62.81 -53.08 59.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.209 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.37 -35.15 60.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.554 -0.832 . . . . 0.0 111.882 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.79 -45.24 68.41 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.711 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 8.8 ptm -67.41 -31.33 71.46 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.631 0.253 . . . . 0.0 111.399 -177.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.632 HD11 ' CE2' ' A' ' 103' ' ' PHE . 75.5 mt -75.89 -38.41 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-O 121.654 0.74 . . . . 0.0 109.648 -177.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.544 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -77.98 -31.75 50.9 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 114.633 -1.167 . . . . 0.0 109.884 -177.566 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 O-C-N 123.728 0.642 . . . . 0.0 110.15 -174.673 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . 0.596 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . 0.627 'CA ' ' OD1' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.4 mtp . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.913 0.387 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.71 80.62 6.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.348 -176.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 64.63 -79.47 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.552 177.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.12 -10.34 8.12 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.983 0.42 . . . . 0.0 110.681 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 81.54 -21.67 6.13 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.168 -0.539 . . . . 0.0 112.487 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.72 -35.07 49.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 121.803 0.811 . . . . 0.0 109.397 172.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.404 HD21 ' C ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -128.53 156.11 43.8 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.5 176.902 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -102.1 135.57 43.46 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -57.45 -34.35 68.88 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 176.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.46 -40.73 76.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.065 -0.97 . . . . 0.0 112.1 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.669 ' OD1' ' HA ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -77.56 -42.36 35.6 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.125 0.488 . . . . 0.0 110.567 -173.157 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.443 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.6 mp -57.86 -54.35 32.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.226 171.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.5 m -56.59 -33.12 65.9 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.267 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.2 -44.1 87.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.84 0.353 . . . . 0.0 110.582 177.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.02 -41.1 82.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.087 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 12' ' ' ILE . 4.6 mm? -61.98 -38.85 90.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.294 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.98 -25.69 59.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.884 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.716 ' O ' ' HB3' ' A' ' 24' ' ' SER . . . -76.08 -43.43 43.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.905 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.1 m -87.06 47.06 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.989 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -66.54 -37.26 84.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.642 -174.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.415 ' H ' ' HB2' ' A' ' 24' ' ' SER . . . -166.56 -157.29 0.27 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.779 0.323 . . . . 0.0 111.748 -175.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.402 ' HA ' ' CE2' ' A' ' 25' ' ' PHE . 54.7 mm-40 -52.24 133.97 33.76 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.586 -0.733 . . . . 0.0 112.028 -177.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.19 -7.59 10.53 Favored Glycine 0 CA--C 1.519 0.337 0 CA-C-N 115.451 -0.795 . . . . 0.0 113.356 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.716 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 45.7 m -99.39 -27.67 13.64 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.571 -0.37 . . . . 0.0 111.438 -177.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.549 ' CD1' HG13 ' A' ' 85' ' ' VAL . 3.6 p90 -69.5 118.31 12.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.371 0.605 . . . . 0.0 111.779 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.419 ' OD2' ' HB3' ' A' ' 28' ' ' LYS . 15.7 t70 -137.91 97.79 3.5 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.48 173.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.41 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 3.7 p-80 -52.13 -33.05 38.3 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.38 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.542 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 64.0 tttm -67.85 -53.79 24.05 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.749 -178.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.68 -38.5 64.26 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.148 174.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.41 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 78.2 t80 -55.85 -58.93 5.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.919 178.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.542 ' CD2' ' HA ' ' A' ' 28' ' ' LYS . 1.9 p90 -62.41 -38.72 90.78 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.272 0.558 . . . . 0.0 111.274 -174.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 28' ' ' LYS . 8.3 t -86.57 -21.09 27.06 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.114 -170.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -80.82 -42.87 20.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.481 177.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.669 ' HA ' ' OD1' ' A' ' 11' ' ' ASP . 11.3 m -80.91 -1.17 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-O 121.211 0.529 . . . . 0.0 111.03 178.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.435 ' O ' ' HG2' ' A' ' 39' ' ' LYS . . . 65.74 34.06 87.73 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.815 -0.629 . . . . 0.0 112.372 178.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.436 HD13 HG23 ' A' ' 47' ' ' VAL . 12.2 tp -76.75 -33.4 58.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.829 0.347 . . . . 0.0 110.707 -177.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.513 ' HB1' ' CD1' ' A' ' 31' ' ' PHE . . . -67.21 -21.13 65.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -93.51 -6.11 47.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.27 178.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 46.4 mmtm -72.21 144.77 48.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.413 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.3 m -75.13 157.12 85.51 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.848 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -43.75 -47.56 9.65 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.193 2.596 . . . . 0.0 113.51 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.24 95.88 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.193 0.521 . . . . 0.0 111.683 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.488 ' O ' HG21 ' A' ' 47' ' ' VAL . 19.7 m-20 -68.15 -42.9 79.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.789 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 mt -70.36 -23.42 24.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.043 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 21.4 tptm -64.65 -44.45 90.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.009 0.433 . . . . 0.0 110.935 177.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.729 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -72.69 -24.07 60.96 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.039 -0.664 . . . . 0.0 109.827 176.214 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.596 ' O ' HD11 ' A' ' 51' ' ' ILE . 96.1 t -65.24 -38.55 82.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.298 0.571 . . . . 0.0 109.711 171.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.516 ' HA ' HD13 ' A' ' 51' ' ' ILE . 10.5 m-30 -59.23 -35.76 74.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.214 176.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.729 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 8.3 pt-20 -79.07 -15.7 57.82 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.449 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.687 HG13 ' O ' ' A' ' 46' ' ' LYS . 47.1 mt -70.28 -45.66 74.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.423 176.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.596 HD11 ' O ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -62.56 -35.4 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 176.018 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.619 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 34.8 t0 -80.65 62.51 4.74 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.211 174.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.33 -37.16 72.11 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.533 0.682 . . . . 0.0 110.813 -171.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.581 ' HB3' ' OE2' ' A' ' 63' ' ' GLU . 3.1 t70 -75.77 -18.67 59.45 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.575 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.415 ' HA ' ' OD2' ' A' ' 52' ' ' ASP . 24.3 tptp 62.53 65.01 0.87 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 122.14 0.971 . . . . 0.0 110.834 -176.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.446 ' C ' ' H ' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -110.73 -0.81 16.93 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.665 -1.152 . . . . 0.0 110.462 -179.113 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 56' ' ' SER . 2.5 m-20 71.63 -1.12 2.91 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.685 0.794 . . . . 0.0 110.374 -174.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.446 ' H ' ' C ' ' A' ' 56' ' ' SER . 96.5 m-85 -136.12 139.3 42.83 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 172.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.696 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 59.5 t -103.67 114.21 42.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.384 -173.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -88.17 177.39 6.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.9 0.381 . . . . 0.0 111.304 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -66.4 -46.35 76.9 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.976 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -68.79 -23.24 64.27 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.662 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.581 ' OE2' ' HB3' ' A' ' 54' ' ' ASP . 44.6 mt-10 -70.81 -39.4 73.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.075 172.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.535 ' HG ' ' CD1' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -62.85 -28.96 70.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.581 179.81 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -60.5 -55.71 30.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.872 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -100.61 5.39 43.89 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.702 -0.399 . . . . 0.0 112.024 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.59 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -58.05 -32.25 67.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.399 0.619 . . . . 0.0 109.538 178.832 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.59 ' HG ' ' CE2' ' A' ' 67' ' ' PHE . 1.2 mp -72.18 -34.02 68.12 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.667 -177.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -71.27 -19.15 62.38 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -82.8 -35.09 26.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.275 174.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -65.46 -50.27 65.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.451 176.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.9 m -150.41 137.61 19.47 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.888 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.2 -27.31 68.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.505 -172.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -99.36 16.0 59.53 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.43 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.79 150.08 26.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.994 0.426 . . . . 0.0 111.049 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.2 mtp-105 -81.87 148.79 28.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.238 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.27 118.75 30.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.154 173.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.5 mp -65.16 137.34 57.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.717 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.516 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 16.9 m -133.87 142.98 48.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.915 0.388 . . . . 0.0 111.665 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.2 t70 57.92 -108.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.359 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.467 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -69.64 -39.82 76.9 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -168.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 79' ' ' SER . 3.7 pt-20 -67.9 -34.98 77.69 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.351 -175.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.496 ' O ' ' HB2' ' A' ' 87' ' ' LEU . 3.6 m -67.56 -48.56 66.57 Favored 'General case' 0 C--O 1.216 -0.704 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 173.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -54.67 -59.74 4.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.409 -175.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.549 HG13 ' CD1' ' A' ' 25' ' ' PHE . 8.4 p -67.32 -38.81 81.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.534 0.207 . . . . 0.0 111.55 -174.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -71.53 -31.9 67.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.388 . . . . 0.0 110.343 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.554 ' CD1' HG12 ' A' ' 98' ' ' ILE . 13.6 tp -68.44 -47.39 67.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.467 0.651 . . . . 0.0 109.671 177.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -70.04 -17.45 63.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.933 -177.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.48 -29.18 66.01 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.384 0.612 . . . . 0.0 110.224 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.444 ' O ' ' HB3' ' A' ' 102' ' ' GLU . . . -107.83 -53.32 0.67 Allowed Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.842 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.634 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 22.6 t0 -65.96 99.21 0.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.155 0.502 . . . . 0.0 109.744 176.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.4 m -96.92 -16.68 20.56 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.595 -171.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.635 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 12.9 p-10 -103.06 -0.46 30.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.955 -175.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.0 53.03 4.37 Favored Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.678 -0.772 . . . . 0.0 114.409 170.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.638 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 37.1 m-20 -86.68 -21.52 26.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.225 0.512 . . . . 0.0 110.207 176.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.52 24.68 60.26 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -173.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.696 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 19.4 ptpt -158.64 175.7 13.31 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -176.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.576 ' O ' ' HB ' ' A' ' 59' ' ' VAL . 5.9 mm -101.31 113.83 38.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.268 0.556 . . . . 0.0 110.969 177.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -71.07 136.04 24.92 Favored Glycine 0 N--CA 1.434 -1.483 0 N-CA-C 107.96 -2.056 . . . . 0.0 107.96 162.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.444 HG12 ' CG ' ' A' ' 48' ' ' PHE . 13.7 t -58.02 -42.77 83.58 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 117.549 0.675 . . . . 0.0 111.337 -174.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -71.63 -30.43 65.75 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.996 0.427 . . . . 0.0 110.081 178.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.444 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 29.8 mt-10 -65.31 -35.35 80.74 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.408 177.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.431 ' O ' HG13 ' A' ' 107' ' ' ILE . 57.3 t80 -64.6 -42.43 95.56 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 177.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.4 -37.27 65.51 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.572 175.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.1 -30.31 71.49 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 6.0 ptp -83.71 -22.31 32.05 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.94 -178.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 103' ' ' PHE . 45.0 mt -75.38 -30.25 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 122.31 1.053 . . . . 0.0 109.032 178.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.1 tmmt? -94.49 -17.57 22.3 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.147 -1.388 . . . . 0.0 111.006 -177.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.653 -0.689 . . . . 0.0 110.663 179.624 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . 0.619 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . 0.638 'CA ' ' OD2' ' A' ' 95' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.0 tpt . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 120.684 0.278 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.65 139.91 41.49 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -133.3 135.78 45.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.225 0.536 . . . . 0.0 110.873 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.32 -23.09 20.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.196 177.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.8 2.69 18.83 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.862 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.8 mm -63.38 -40.77 90.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.509 0.671 . . . . 0.0 109.265 172.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.41 135.39 18.88 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.611 170.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -94.37 114.59 26.66 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.454 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -55.5 -34.07 64.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.598 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.07 -43.7 94.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.133 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.25 -45.91 78.94 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.106 0.479 . . . . 0.0 111.027 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.14 -44.12 98.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.306 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.4 m -63.9 -34.92 79.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.835 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.27 99.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.987 0.422 . . . . 0.0 110.701 177.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.72 -37.34 82.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.661 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.0 mt -74.18 -18.48 60.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.047 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.67 -35.2 39.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.224 0.535 . . . . 0.0 109.959 173.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.89 -28.97 63.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.603 175.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.6 m -108.21 34.89 3.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.417 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -74.42 -30.02 61.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.869 177.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.21 108.44 3.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.865 175.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -62.69 130.51 45.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.82 -177.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.17 10.97 63.59 Favored Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.9 t -134.06 28.92 3.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.964 0.412 . . . . 0.0 110.263 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -69.89 125.03 25.53 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.523 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.495 ' OD1' ' HB3' ' A' ' 28' ' ' LYS . 13.6 t70 -107.8 92.95 4.28 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 173.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -47.71 -31.63 4.94 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.901 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.602 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . 7.4 ttpm? -72.53 -51.13 21.22 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.689 -176.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.79 -32.7 45.23 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.755 177.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -65.83 -57.34 8.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.602 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.602 ' CE2' ' HA ' ' A' ' 28' ' ' LYS . 1.3 p90 -64.44 -36.53 84.48 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.377 0.608 . . . . 0.0 111.207 -175.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.434 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 3.3 t -86.31 -20.41 28.41 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.94 -169.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -82.6 -48.83 10.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.867 177.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.0 m -75.08 -11.71 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.746 -175.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.86 30.46 23.45 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.919 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.419 HD13 ' HG3' ' A' ' 39' ' ' LYS . 11.6 tp -80.21 -23.17 41.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.988 0.423 . . . . 0.0 110.535 -176.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.437 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . . . -68.58 -23.14 64.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.31 -175.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -112.52 30.84 6.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.043 0.449 . . . . 0.0 111.349 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.419 ' HG3' HD13 ' A' ' 36' ' ' LEU . 67.7 mmtt -83.69 146.74 28.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.223 0.535 . . . . 0.0 111.202 -179.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.8 m -83.36 159.82 60.96 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.433 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -44.67 -43.85 14.32 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.451 2.767 . . . . 0.0 114.475 -174.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.91 -43.75 97.95 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 120.796 0.331 . . . . 0.0 111.747 -176.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.515 ' O ' HG23 ' A' ' 47' ' ' VAL . 9.9 t0 -70.24 -46.48 64.37 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.4 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 11.4 mm -62.19 -28.29 44.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.848 177.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 21.7 tptm -62.77 -47.32 84.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.904 177.049 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.634 ' O ' HG13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -71.31 -23.55 61.97 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.036 -0.666 . . . . 0.0 110.014 177.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.578 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 91.2 t -64.64 -41.21 91.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 121.186 0.517 . . . . 0.0 109.768 171.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.661 ' CG ' HG11 ' A' ' 100' ' ' VAL . 20.9 m-30 -57.63 -32.51 67.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.569 174.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -79.25 -16.3 56.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.312 176.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.634 HG13 ' O ' ' A' ' 46' ' ' LYS . 58.6 mt -72.68 -45.88 56.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.374 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.669 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -66.01 -33.74 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.358 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -82.18 56.7 3.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.256 176.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -23.22 67.19 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.83 0.348 . . . . 0.0 111.741 -173.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -85.16 -16.1 41.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.148 0.499 . . . . 0.0 110.658 175.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.93 62.38 2.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.641 176.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 m -120.63 5.05 10.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.423 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 70.64 13.6 7.27 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 114.869 -1.06 . . . . 0.0 110.888 -176.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -132.83 136.25 46.14 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 168.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.669 HG11 ' HB ' ' A' ' 51' ' ' ILE . 58.7 t -120.41 82.73 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.272 -169.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -80.79 175.82 10.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.843 0.354 . . . . 0.0 111.731 -176.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.479 ' HG2' ' HZ1' ' A' ' 65' ' ' LYS . 39.4 tt0 -56.27 -37.63 70.08 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 177.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.5 -34.46 69.1 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.173 177.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.626 ' OE2' 'CA ' ' A' ' 201' ' ' ' CA' . 1.1 mp0 -69.52 -44.14 71.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.865 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.535 ' HG ' ' CD2' ' A' ' 87' ' ' LEU . 4.3 mm? -63.64 -19.58 64.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.454 -177.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.479 ' HZ1' ' HG2' ' A' ' 61' ' ' GLU . 28.4 mmtm -63.62 -51.66 64.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.98 0.419 . . . . 0.0 110.601 174.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.408 HD23 ' HB2' ' A' ' 65' ' ' LYS . 1.3 mm? -101.02 5.14 42.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.513 -177.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.507 ' CD1' HG22 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -51.85 -36.91 49.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.5 173.269 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.5 HD22 ' H ' ' A' ' 68' ' ' LEU . 1.7 mm? -63.11 -46.49 87.1 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.068 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.507 ' HA ' ' O ' ' A' ' 72' ' ' SER . 79.3 mt-30 -71.56 -10.52 59.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.787 -178.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.629 ' ND2' ' HA ' ' A' ' 50' ' ' ILE . 60.1 t30 -90.61 -33.17 15.97 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 177.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.46 -44.24 62.61 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 174.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.507 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 49.0 m -149.78 122.2 8.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.084 175.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.52 -28.66 63.66 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -172.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -101.11 58.05 0.68 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.337 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -121.48 163.43 18.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.925 0.393 . . . . 0.0 111.447 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.429 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -87.12 142.39 27.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.723 -178.704 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.55 119.0 27.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.635 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.0 mp -64.56 150.21 47.28 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.405 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.0 p -135.7 129.36 32.57 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 113.855 1.058 . . . . 0.0 113.855 -174.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.5 t70 54.38 -98.2 0.08 Allowed 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 114.361 -1.291 . . . . 0.0 113.24 168.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.403 ' O ' HG11 ' A' ' 85' ' ' VAL . . . -66.04 -37.62 86.32 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.748 0.309 . . . . 0.0 111.813 -168.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -77.2 -38.81 50.71 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.215 -176.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.539 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 3.0 m -64.71 -37.93 89.28 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 120.776 0.322 . . . . 0.0 110.305 174.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -60.06 -58.14 9.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.066 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.403 HG11 ' O ' ' A' ' 81' ' ' ALA . 5.8 p -66.17 -29.43 46.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.072 0.463 . . . . 0.0 110.726 -178.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -70.23 -34.0 72.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.543 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 83' ' ' THR . 77.9 mt -66.83 -48.94 67.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.057 0.456 . . . . 0.0 110.133 174.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -69.16 -17.6 63.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.353 -175.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.16 -27.4 67.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.382 0.611 . . . . 0.0 110.162 174.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.511 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -118.67 -58.78 0.27 Allowed Glycine 0 N--CA 1.441 -1.006 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.574 -178.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 11.4 t70 -64.27 107.31 1.29 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.7 p -85.02 -25.62 27.57 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.147 0.498 . . . . 0.0 110.175 -170.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -83.94 -23.92 30.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.148 -178.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 78.17 43.23 13.8 Favored Glycine 0 C--N 1.331 0.292 0 CA-C-N 115.837 -0.62 . . . . 0.0 113.314 172.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.629 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 7.4 p-10 -98.05 19.64 13.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.914 0.388 . . . . 0.0 111.723 -175.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.41 29.01 51.09 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 120.642 -0.789 . . . . 0.0 113.47 173.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.563 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 10.8 ptpt -145.34 177.88 8.5 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-O 121.23 0.538 . . . . 0.0 109.793 -178.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.598 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 9.3 mm -113.56 105.29 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 CA-C-N 114.869 -1.06 . . . . 0.0 108.735 166.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.68 138.1 48.41 Favored Glycine 0 N--CA 1.433 -1.558 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 169.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.661 HG11 ' CG ' ' A' ' 48' ' ' PHE . 3.3 t -55.81 -48.21 78.5 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 CA-C-O 120.971 0.415 . . . . 0.0 110.75 -178.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -68.99 -33.54 73.83 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.204 0.526 . . . . 0.0 110.042 176.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.511 ' HB3' ' C ' ' A' ' 90' ' ' GLY . 5.4 mm-40 -59.27 -43.56 92.5 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.551 177.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.598 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . 30.6 t80 -66.3 -45.04 81.76 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.875 -177.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.19 -32.49 60.16 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.858 -0.686 . . . . 0.0 111.694 178.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.77 -32.71 73.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.569 -0.316 . . . . 0.0 111.687 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.484 ' HE1' ' CD1' ' A' ' 103' ' ' PHE . 1.5 ptp -81.62 -21.67 38.12 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.666 -178.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.444 HD13 ' CD2' ' A' ' 103' ' ' PHE . 64.1 mt -76.66 -37.65 29.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 122.041 0.924 . . . . 0.0 108.967 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 0.7 OUTLIER -83.55 -27.55 29.22 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.244 -1.343 . . . . 0.0 109.886 178.854 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.255 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.825 -178.691 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . 0.626 'CA ' ' OE2' ' A' ' 63' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . 0.629 'CA ' ' OD1' ' A' ' 95' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.12 166.29 23.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.041 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.456 ' CE1' ' HA ' ' A' ' 72' ' ' SER . 70.3 m-85 -86.6 49.87 1.89 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.133 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 70.0 142.58 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.255 -175.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.07 6.03 5.84 Favored Glycine 0 C--N 1.331 0.263 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.443 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.6 mt -56.09 -37.74 50.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.503 0.668 . . . . 0.0 109.222 169.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.417 ' HB2' ' CD1' ' A' ' 12' ' ' ILE . 4.3 pp -125.08 157.58 35.93 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.985 178.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.442 ' N ' HD21 ' A' ' 8' ' ' ASN . 0.9 OUTLIER -101.82 123.77 46.34 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 172.396 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -55.11 -30.06 58.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.134 0.492 . . . . 0.0 110.202 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.43 -33.97 63.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.746 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.488 ' OD1' ' HA ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -80.78 -39.23 27.15 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.252 0.548 . . . . 0.0 110.055 -176.611 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.417 ' CD1' ' HB2' ' A' ' 7' ' ' LEU . 1.4 mp -60.18 -47.05 93.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.321 172.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.5 m -64.17 -31.9 73.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.24 95.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.793 0.33 . . . . 0.0 111.193 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.18 -38.22 75.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.951 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.7 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 92.4 mt -68.95 -23.09 64.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.8 0.333 . . . . 0.0 110.922 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.22 -30.31 48.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.13 0.491 . . . . 0.0 110.25 174.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.83 -30.96 64.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.166 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.7 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 26.7 p -100.84 21.64 13.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.674 177.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -70.88 -34.54 71.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.165 0.507 . . . . 0.0 110.161 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.97 138.53 38.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.532 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -63.17 130.89 46.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.011 0.434 . . . . 0.0 110.42 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.97 -21.19 38.11 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.028 -176.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.4 t -87.57 15.96 6.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.509 0.671 . . . . 0.0 110.053 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -80.02 97.12 6.67 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.391 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -105.59 92.65 4.28 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -52.32 -34.93 49.32 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.354 0.597 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.526 ' O ' HG22 ' A' ' 32' ' ' THR . 57.1 tttp -76.49 -48.75 18.5 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.506 -176.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.45 ' HA ' ' CG2' ' A' ' 32' ' ' THR . . . -60.0 -32.25 70.69 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.102 177.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.431 ' O ' HG21 ' A' ' 34' ' ' VAL . 62.1 t80 -55.9 -56.3 22.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.337 174.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -63.13 -41.45 99.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.917 -176.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 28' ' ' LYS . 4.8 t -76.45 -21.62 55.67 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.527 -178.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -79.84 -48.58 13.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.653 0.263 . . . . 0.0 110.731 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.488 ' HA ' ' OD1' ' A' ' 11' ' ' ASP . 30.1 m -74.5 -12.32 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-O 120.941 0.4 . . . . 0.0 111.194 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.46 19.65 58.11 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.531 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.436 HD12 HG23 ' A' ' 47' ' ' VAL . 17.5 tp -83.17 6.89 17.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.166 0.507 . . . . 0.0 110.793 -176.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.56 -10.49 31.94 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 170.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.91 23.09 11.24 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 121.435 0.636 . . . . 0.0 111.086 -177.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -74.98 173.44 10.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.489 179.764 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.417 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 19.4 m -103.97 160.12 27.12 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.638 171.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 40' ' ' SER . 1.3 Cg_endo -44.31 -47.8 10.44 Favored 'Trans proline' 0 CA--C 1.535 0.56 0 C-N-CA 123.315 2.677 . . . . 0.0 114.02 -178.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.6 -31.38 72.58 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.726 0.298 . . . . 0.0 111.635 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.664 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 47.1 m-20 -67.85 -42.63 81.1 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 179.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 44' ' ' ILE . 4.9 mm -70.52 -27.79 32.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.786 177.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 4.2 tppp? -60.89 -45.63 93.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.312 . . . . 0.0 110.727 177.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.664 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -70.89 -26.38 63.2 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.881 178.392 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.554 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 83.3 t -66.79 -35.78 75.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.901 0.381 . . . . 0.0 110.493 173.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.422 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 18.0 m-30 -57.97 -40.62 81.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.231 0.539 . . . . 0.0 110.219 173.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.91 -27.39 67.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.482 174.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.641 HG12 ' O ' ' A' ' 46' ' ' LYS . 22.7 mm -64.27 -50.09 78.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.537 -175.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.584 ' HB ' HG12 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -67.32 -34.9 71.92 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.287 -178.894 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.471 ' HA ' ' HG2' ' A' ' 63' ' ' GLU . 14.0 t0 -82.92 78.78 9.46 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.9 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.553 ' H ' ' HG3' ' A' ' 63' ' ' GLU . 5.5 tp60 -46.39 -46.59 18.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.289 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.661 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 0.1 OUTLIER -94.37 -12.57 27.66 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.593 -175.608 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.424 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 81.5 tttt 59.92 63.76 1.4 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 122.308 1.051 . . . . 0.0 111.178 -178.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.6 t -105.92 20.21 19.3 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.607 -1.179 . . . . 0.0 109.61 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.9 p30 52.13 17.81 0.75 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.712 1.205 . . . . 0.0 111.856 -175.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -150.05 115.36 5.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.427 176.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.639 ' HB ' ' O ' ' A' ' 98' ' ' ILE . 50.3 t -93.75 98.4 8.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.372 -172.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.536 ' O ' ' HB2' ' A' ' 63' ' ' GLU . 78.9 mm-40 -84.31 -173.42 4.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.395 -178.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -72.17 -36.07 69.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.149 -0.344 . . . . 0.0 110.677 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.87 -23.16 67.18 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.114 0.483 . . . . 0.0 109.889 176.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.553 ' HG3' ' H ' ' A' ' 53' ' ' GLN . 0.5 OUTLIER -64.06 -58.82 5.53 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.854 172.178 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.505 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 4.5 mm? -61.62 -19.42 62.23 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.979 -174.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.549 ' O ' HD11 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -65.05 -57.16 9.37 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.084 0.469 . . . . 0.0 110.739 176.861 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 68.3 mt -103.21 4.71 37.05 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -176.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.505 ' HD1' ' O ' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -61.6 -26.85 68.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.959 0.885 . . . . 0.0 108.718 177.828 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.549 HD11 ' O ' ' A' ' 65' ' ' LYS . 1.2 mt -65.84 -37.4 86.12 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.629 -1.169 . . . . 0.0 110.325 178.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.5 ' HA ' ' O ' ' A' ' 72' ' ' SER . 83.4 mm-40 -74.67 -14.94 60.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.897 177.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.516 ' HB2' ' OE1' ' A' ' 53' ' ' GLN . 63.9 t30 -85.95 -19.48 30.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.292 174.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -96.83 -33.4 11.67 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.639 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.5 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 13.2 p -163.72 151.65 13.0 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.287 -179.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.27 -14.79 39.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.703 0.287 . . . . 0.0 111.73 -176.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -105.1 19.08 41.39 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.412 ' HB1' ' OG ' ' A' ' 72' ' ' SER . . . -80.42 168.12 19.36 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.015 0.436 . . . . 0.0 111.3 -178.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.543 ' O ' HD13 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -115.51 130.31 56.83 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -178.85 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.463 ' HA ' ' CD1' ' A' ' 68' ' ' LEU . . . -72.74 128.09 34.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.148 0.499 . . . . 0.0 111.595 -178.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.4 mp -79.28 149.44 31.82 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.937 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.2 p -177.56 75.68 0.02 OUTLIER 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.341 0.591 . . . . 0.0 111.874 176.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.488 ' CG ' ' H ' ' A' ' 81' ' ' ALA . 18.2 t70 176.69 -145.98 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.488 ' H ' ' CG ' ' A' ' 80' ' ' ASP . . . -66.28 -16.43 64.02 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -177.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -33.02 24.18 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 120.205 -0.598 . . . . 0.0 109.714 -170.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.62 -37.68 85.38 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 171.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.488 ' HE2' ' HA ' ' A' ' 84' ' ' LYS . 11.8 mmpt? -59.05 -59.24 5.79 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.937 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 48.9 t -64.9 -39.61 86.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.333 -176.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -68.35 -34.7 76.57 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.625 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.501 ' CD2' ' HG ' ' A' ' 64' ' ' LEU . 58.2 mt -67.8 -50.78 55.03 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.802 0.334 . . . . 0.0 110.305 174.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -66.35 -17.09 64.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.795 -176.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.37 -31.89 71.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.122 0.487 . . . . 0.0 109.9 172.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.538 ' O ' ' HB3' ' A' ' 102' ' ' GLU . . . -102.6 -49.04 1.22 Allowed Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.379 177.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.653 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 14.1 t0 -59.46 97.74 0.04 OUTLIER 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.022 0.439 . . . . 0.0 110.373 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.8 m -98.94 -8.89 24.84 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.25 0.548 . . . . 0.0 109.594 178.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.626 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 11.9 m-20 -87.84 -19.87 26.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.839 -175.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.25 33.04 29.86 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 -173.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.71 ' OD1' ' HG2' ' A' ' 97' ' ' LYS . 3.2 p30 -95.7 -15.74 22.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.493 -0.354 . . . . 0.0 111.653 -175.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.83 27.78 52.65 Favored Glycine 0 N--CA 1.454 -0.155 0 C-N-CA 121.121 -0.562 . . . . 0.0 112.941 175.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.71 ' HG2' ' OD1' ' A' ' 95' ' ' ASP . 10.9 ptpt -148.38 178.13 8.85 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -178.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.639 ' O ' ' HB ' ' A' ' 59' ' ' VAL . 16.0 mm -103.32 108.02 23.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.019 0.437 . . . . 0.0 110.717 176.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -66.65 137.53 34.63 Favored Glycine 0 N--CA 1.436 -1.354 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 166.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 42.4 t -57.03 -48.76 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 116.997 0.398 . . . . 0.0 110.825 -176.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -69.36 -31.81 70.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.943 0.401 . . . . 0.0 110.438 176.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.538 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 35.4 mt-10 -63.5 -37.04 85.76 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.704 177.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.526 ' O ' HG13 ' A' ' 107' ' ' ILE . 41.0 t80 -65.05 -48.52 73.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.248 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -54.09 -39.49 63.7 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.952 177.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.08 -37.97 89.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.703 -0.248 . . . . 0.0 111.375 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.478 ' HE3' ' CD1' ' A' ' 103' ' ' PHE . 2.0 ptp -70.54 -24.93 62.89 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.556 -178.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 103' ' ' PHE . 59.9 mt -75.39 -34.1 29.35 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 CA-C-O 121.935 0.874 . . . . 0.0 109.521 -179.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -90.25 -8.72 50.29 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.363 -1.29 . . . . 0.0 111.144 -178.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.833 0 CA-C-O 118.488 -0.767 . . . . 0.0 110.971 179.555 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . 0.661 'CA ' ' OD1' ' A' ' 54' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . 0.651 'CA ' ' OD2' ' A' ' 95' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 120.895 0.379 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.2 128.85 13.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.77 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -152.89 125.77 8.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.089 0.471 . . . . 0.0 110.043 177.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.71 -11.07 59.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.833 -176.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.0 -25.62 10.6 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.91 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.9 mt -53.66 -51.92 38.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 173.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.0 137.41 54.1 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.341 173.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.411 ' HB2' ' HB2' ' A' ' 11' ' ' ASP . 12.6 m-80 -94.4 114.49 26.54 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 175.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -51.67 -39.48 58.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.81 -178.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.93 -35.4 74.52 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.369 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.411 ' HB2' ' HB2' ' A' ' 8' ' ' ASN . 1.6 t0 -72.4 -48.72 39.26 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.349 0.595 . . . . 0.0 109.829 -177.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -55.23 -53.94 29.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.4 176.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 92.7 m -54.38 -34.85 62.05 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.741 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.492 ' HB1' ' HZ1' ' A' ' 33' ' ' LYS . . . -64.99 -45.88 83.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.185 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.51 ' HB1' ' CD ' ' A' ' 33' ' ' LYS . . . -60.33 -41.64 93.95 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.825 174.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.465 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 4.0 mm? -56.82 -45.16 82.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 177.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.58 -25.68 66.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.046 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.66 -43.64 22.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.861 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.465 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 22.7 p -78.75 -8.33 58.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.425 ' O ' ' HD2' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -65.25 -38.32 89.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.543 178.38 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.3 114.54 3.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.034 -178.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -60.65 130.14 45.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.506 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.03 -13.06 64.21 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.283 -177.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.1 t -126.8 49.37 2.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.642 0.734 . . . . 0.0 109.867 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.407 ' HB2' ' OE1' ' A' ' 82' ' ' GLU . 8.5 p90 -104.84 129.36 53.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.562 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.46 88.63 2.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.579 0.704 . . . . 0.0 110.719 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.603 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 3.6 t60 -68.35 -29.57 68.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.722 -177.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' O ' HG23 ' A' ' 32' ' ' THR . 65.4 tttp -65.61 -41.59 92.58 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 175.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.473 ' HA ' ' CG2' ' A' ' 32' ' ' THR . . . -62.37 -31.34 71.98 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.991 177.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.603 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 61.4 t80 -55.92 -50.25 71.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.618 174.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -63.58 -45.94 88.11 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.165 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.473 ' CG2' ' HA ' ' A' ' 29' ' ' ALA . 2.8 t -75.99 -22.73 55.53 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -174.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.51 ' CD ' ' HB1' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -81.48 -35.97 29.87 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 122.284 -0.26 . . . . 0.0 110.727 -179.028 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.5 m -86.61 -12.39 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-O 121.229 0.538 . . . . 0.0 110.52 177.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.08 30.15 43.45 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.379 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.459 ' HA ' ' CG ' ' A' ' 39' ' ' LYS . 9.7 tp -76.33 -29.12 57.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 111.147 -176.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.14 -17.0 62.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.891 0.377 . . . . 0.0 111.005 -177.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -108.76 26.24 10.79 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.527 ' HD2' ' OD2' ' A' ' 43' ' ' ASP . 38.2 mmtm -89.52 161.72 16.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.114 0.483 . . . . 0.0 111.251 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.0 m -79.53 150.33 73.1 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.045 -178.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -47.55 -55.05 4.3 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.117 2.544 . . . . 0.0 113.935 -176.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.451 ' O ' ' HB3' ' A' ' 45' ' ' LYS . . . -63.54 -30.59 71.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 0.0 111.381 -177.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.599 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 33.2 t70 -73.5 -46.56 47.16 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.97 0.414 . . . . 0.0 110.328 178.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.443 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 0.1 OUTLIER -63.08 -21.82 29.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.13 0.491 . . . . 0.0 110.209 174.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 3.7 tppp? -67.67 -43.88 79.15 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.15 175.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.704 ' O ' HG13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -69.59 -24.73 63.72 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.48 176.527 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.624 ' O ' HD12 ' A' ' 51' ' ' ILE . 98.4 t -63.78 -39.7 86.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 171.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.598 ' CG ' HG13 ' A' ' 100' ' ' VAL . 18.7 m-30 -61.03 -29.39 69.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.512 177.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.659 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 7.2 pt-20 -84.5 -15.38 46.13 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.003 176.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.704 HG13 ' O ' ' A' ' 46' ' ' LYS . 46.9 mt -71.02 -40.12 75.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.305 177.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.624 HD12 ' O ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -63.46 -26.89 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 120.091 -0.643 . . . . 0.0 109.542 177.175 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.605 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 32.9 t0 -86.09 72.45 10.42 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 175.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.406 ' OE1' ' HB3' ' A' ' 66' ' ' LEU . 6.0 tt0 -53.13 -38.3 62.56 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.592 0.711 . . . . 0.0 110.981 -177.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -77.09 -19.09 57.49 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.774 -178.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt 56.46 63.08 2.08 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.581 0.705 . . . . 0.0 111.282 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.461 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -123.79 5.53 8.78 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.804 -177.398 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 56' ' ' SER . 4.3 m-20 76.79 7.64 3.17 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 124.019 0.824 . . . . 0.0 110.619 -178.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -134.91 121.83 21.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.296 176.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.642 ' HB ' ' O ' ' A' ' 98' ' ' ILE . 84.8 t -103.19 111.4 32.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.306 -176.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -93.55 -175.5 3.8 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -77.99 -50.17 12.64 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 122.549 0.34 . . . . 0.0 110.871 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -65.32 -21.48 66.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.087 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.71 -37.48 82.31 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.242 171.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.594 ' HA ' ' HB3' ' A' ' 67' ' ' PHE . 0.2 OUTLIER -72.3 -20.26 61.53 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.596 -179.793 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.485 ' O ' HD22 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -64.23 -47.86 78.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.943 0.401 . . . . 0.0 110.547 175.046 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.406 ' HB3' ' OE1' ' A' ' 53' ' ' GLN . 1.9 mp -101.48 4.69 41.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.226 0.536 . . . . 0.0 111.441 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.594 ' HB3' ' HA ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -53.34 -32.6 49.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.46 172.788 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 1.9 mm? -66.12 -42.3 89.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.036 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -66.99 -20.33 65.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.032 0.444 . . . . 0.0 110.115 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -83.53 -28.7 28.46 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -78.51 -53.91 6.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.572 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.9 m -152.41 137.89 17.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.701 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.64 -25.95 67.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.813 -174.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -96.51 12.62 66.22 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.814 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.79 137.42 33.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.926 0.393 . . . . 0.0 110.707 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.556 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 30.5 mmt180 -75.97 138.01 40.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.225 -178.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.06 117.32 9.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.001 0.429 . . . . 0.0 110.263 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.471 ' HB3' ' HG3' ' A' ' 82' ' ' GLU . 75.5 mt -68.73 113.65 6.39 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.936 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.6 m -125.18 167.19 15.17 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.736 -171.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 63.73 -131.09 0.41 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.278 -0.873 . . . . 0.0 111.541 174.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.65 -26.03 64.21 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.216 -172.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.696 ' O ' ' HB2' ' A' ' 86' ' ' PHE . 11.3 tp10 -57.17 -50.39 72.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 177.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.901 ' O ' ' HB3' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -70.48 -51.22 30.58 Favored 'General case' 0 C--O 1.206 -1.223 0 C-N-CA 119.41 -0.916 . . . . 0.0 110.463 177.602 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -50.85 -53.89 28.49 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.321 -0.862 . . . . 0.0 111.45 -176.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.0 t -76.79 -49.02 24.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 120.921 0.391 . . . . 0.0 111.89 -175.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.696 ' HB2' ' O ' ' A' ' 82' ' ' GLU . 24.1 m-85 -87.14 -19.24 28.77 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -169.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.901 ' HB3' ' O ' ' A' ' 83' ' ' THR . 0.0 OUTLIER -80.7 -28.61 36.64 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 170.154 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -78.36 -16.17 57.95 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.5 171.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.6 -37.05 62.62 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.236 0.541 . . . . 0.0 110.544 176.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.634 ' O ' ' HB3' ' A' ' 102' ' ' GLU . . . -87.12 -50.87 3.52 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.233 176.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.489 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 31.4 t0 -60.32 98.74 0.06 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.393 0.616 . . . . 0.0 110.347 -178.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.5 m -92.23 -27.18 17.8 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.023 -171.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.622 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 11.3 p-10 -86.94 -7.1 58.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.614 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 64.88 44.18 95.0 Favored Glycine 0 C--N 1.332 0.33 0 CA-C-N 115.218 -0.901 . . . . 0.0 113.119 173.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -96.55 -17.44 20.46 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 121.218 -0.193 . . . . 0.0 111.135 -175.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.02 30.01 5.58 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.16 -1.019 . . . . 0.0 112.961 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.559 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 15.7 ptmt -144.29 172.51 12.83 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.642 ' O ' ' HB ' ' A' ' 59' ' ' VAL . 1.8 mm -106.18 104.02 16.35 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 165.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.417 ' HA3' ' HG3' ' A' ' 102' ' ' GLU . . . -64.39 137.32 40.0 Favored Glycine 0 N--CA 1.427 -1.925 0 N-CA-C 108.739 -1.745 . . . . 0.0 108.739 168.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.598 HG13 ' CG ' ' A' ' 48' ' ' PHE . 3.2 t -55.93 -43.0 73.38 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 CA-C-O 121.348 0.594 . . . . 0.0 110.47 -179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -69.32 -36.94 77.46 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.342 175.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.634 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 21.6 mt-10 -62.74 -37.32 86.12 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.578 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.46 ' CE2' HD12 ' A' ' 107' ' ' ILE . 47.1 t80 -66.07 -46.39 77.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.803 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.35 -37.76 66.71 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.026 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.66 91.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.589 -0.306 . . . . 0.0 111.429 178.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.499 ' HE2' ' N ' ' A' ' 90' ' ' GLY . 2.9 ptp -72.28 -26.08 61.84 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.656 -177.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.46 HD12 ' CE2' ' A' ' 103' ' ' PHE . 54.9 mt -74.28 -35.18 39.33 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 CA-C-O 121.906 0.86 . . . . 0.0 109.263 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -94.02 -9.33 37.17 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.339 -1.301 . . . . 0.0 111.214 -174.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.632 -0.699 . . . . 0.0 111.026 -179.056 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . 0.605 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . 0.622 'CA ' ' OD1' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.7 118.81 13.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.368 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 55.73 52.02 11.54 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.141 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 66.45 2.02 2.3 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.327 177.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 76.83 9.87 86.33 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.18 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.444 ' O ' ' HE3' ' A' ' 39' ' ' LYS . 40.2 mm -65.23 -40.1 87.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 174.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.504 HD21 ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -138.07 144.34 40.89 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.842 178.453 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -86.34 106.61 17.51 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -48.9 -38.73 23.51 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.786 -176.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.0 88.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.688 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.32 -38.58 78.3 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 120.728 0.299 . . . . 0.0 111.321 -177.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.444 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.8 mp -59.55 -51.88 67.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 174.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.8 m -54.74 -36.48 64.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.256 176.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.71 -32.6 72.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.884 0.373 . . . . 0.0 111.192 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.12 -42.38 69.31 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 174.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 12' ' ' ILE . 4.5 mm? -59.09 -35.2 72.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.446 174.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.69 -33.68 75.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.358 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.35 -18.39 60.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.959 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 24' ' ' SER . 26.3 p -121.71 30.57 6.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.218 0.532 . . . . 0.0 110.444 177.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -77.79 -31.48 51.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.102 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.03 125.95 33.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.479 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.08 130.14 44.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.037 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.97 3.86 87.49 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.396 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.464 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 41.1 t -125.2 68.24 1.13 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.185 0.517 . . . . 0.0 109.866 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -125.11 144.33 50.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.074 -177.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -137.08 98.45 3.75 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 173.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.439 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 2.1 p80 -57.25 -32.36 66.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.695 -176.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.503 ' O ' HG23 ' A' ' 32' ' ' THR . 69.7 tttt -79.03 -43.09 24.96 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.193 -174.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.542 ' O ' ' HB2' ' A' ' 33' ' ' LYS . . . -56.69 -36.79 70.04 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.689 174.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.439 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 74.1 t80 -55.01 -55.11 34.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.631 175.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.404 ' CD2' ' HA ' ' A' ' 107' ' ' ILE . 16.7 m-85 -66.6 -43.74 84.01 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.648 -176.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 28' ' ' LYS . 9.8 t -73.07 -23.96 60.62 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.507 -176.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 75.3 tttt -74.79 -46.06 39.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.872 0.368 . . . . 0.0 110.23 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.5 m -84.13 -9.84 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.695 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.16 35.08 31.26 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.329 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.422 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -82.03 -32.76 30.33 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.646 -0.326 . . . . 0.0 111.193 -177.577 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.28 -17.77 64.95 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.266 0.555 . . . . 0.0 110.234 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.38 1.64 41.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.519 178.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.444 ' HE3' ' O ' ' A' ' 6' ' ' ILE . 38.0 mmtm -70.17 144.02 52.1 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.218 0.532 . . . . 0.0 111.184 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.5 m -79.26 161.63 67.07 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.454 -177.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -44.09 -46.45 11.18 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.165 2.577 . . . . 0.0 113.662 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.01 -44.54 96.51 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.003 0.43 . . . . 0.0 111.37 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.614 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 18.8 m-20 -64.53 -45.7 86.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.277 0.561 . . . . 0.0 109.712 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.423 HG23 ' CE1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -62.84 -32.83 57.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.214 179.405 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 2.9 tppp? -64.86 -44.78 88.63 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 120.677 0.275 . . . . 0.0 111.243 -178.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.633 ' O ' HG13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -67.76 -27.99 67.24 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.133 -0.627 . . . . 0.0 109.559 178.238 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 43' ' ' ASP . 93.2 t -65.67 -40.43 87.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.264 175.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.483 ' HA ' HD11 ' A' ' 51' ' ' ILE . 12.8 m-30 -55.29 -34.28 63.98 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.401 174.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -81.78 -15.94 52.62 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.081 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.633 HG13 ' O ' ' A' ' 46' ' ' LYS . 60.1 mt -73.41 -40.32 56.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 O-C-N 122.004 -0.435 . . . . 0.0 111.595 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.532 HD12 ' O ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -66.34 -19.18 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-O 121.641 0.734 . . . . 0.0 109.047 175.687 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.466 ' HB2' HG13 ' A' ' 59' ' ' VAL . 30.7 t0 -100.27 61.47 1.07 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.837 -1.074 . . . . 0.0 108.994 174.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.462 ' HA ' ' ND2' ' A' ' 70' ' ' ASN . 2.0 pt20 -53.64 -35.32 60.86 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.134 0.492 . . . . 0.0 111.392 -174.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.719 ' HB3' ' OE2' ' A' ' 63' ' ' GLU . 6.0 t70 -76.47 -18.97 58.5 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.849 -178.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.3 tptm 64.76 64.8 0.65 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 122.099 0.952 . . . . 0.0 111.493 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.459 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -117.75 1.16 12.14 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.108 -175.71 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 56' ' ' SER . 4.1 m-20 74.41 -1.41 3.08 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.754 0.822 . . . . 0.0 110.764 -176.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -139.3 129.08 24.74 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.721 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 0.7 OUTLIER -99.8 122.72 51.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.447 0.641 . . . . 0.0 110.316 -177.59 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -94.75 179.54 5.21 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.853 176.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -69.84 -40.92 75.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.789 0.328 . . . . 0.0 110.703 178.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -60.56 -30.64 69.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.326 178.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.719 ' OE2' ' HB3' ' A' ' 54' ' ' ASP . 49.4 mt-10 -73.82 -34.8 64.72 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.684 176.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.531 ' HG ' ' CD2' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -69.04 -27.1 65.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.995 0.426 . . . . 0.0 110.804 177.03 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.48 ' O ' HD23 ' A' ' 68' ' ' LEU . 11.4 mptt -62.86 -52.87 61.43 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.776 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.498 HD13 ' NE2' ' A' ' 69' ' ' GLN . 1.3 mm? -100.32 6.7 44.62 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 -178.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.422 ' CD1' HG23 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -49.44 -36.36 22.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.491 0.662 . . . . 0.0 109.3 170.331 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 2.3 mm? -62.67 -45.65 91.83 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.295 178.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.498 ' NE2' HD13 ' A' ' 66' ' ' LEU . 79.4 mt-30 -72.27 -8.37 54.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.762 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.462 ' ND2' ' HA ' ' A' ' 53' ' ' GLN . 64.5 t30 -95.66 -23.54 16.97 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -80.84 -48.19 12.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.137 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.5 m -150.3 144.05 25.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.717 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.64 -21.58 63.54 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -168.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -105.55 2.24 39.52 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.25 -0.976 . . . . 0.0 112.591 -177.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.09 142.89 56.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.03 0.443 . . . . 0.0 111.385 -176.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.524 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 21.7 mmt180 -82.31 147.74 28.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.259 -176.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.66 127.82 34.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.886 0.374 . . . . 0.0 110.94 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.4 mp -77.11 141.23 40.3 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.349 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.609 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 53.5 m -143.21 167.98 20.84 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.718 -0.219 . . . . 0.0 110.476 176.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 59.93 -130.85 0.97 Allowed 'General case' 0 C--O 1.236 0.342 0 O-C-N 123.432 0.458 . . . . 0.0 111.407 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.23 -33.15 73.86 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.191 -170.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.609 ' HG2' ' O ' ' A' ' 79' ' ' SER . 1.9 pm0 -67.4 -25.41 65.93 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.161 -175.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.588 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 1.5 m -78.48 -45.85 21.1 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.06 -0.656 . . . . 0.0 109.56 174.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -64.19 -46.18 85.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.348 -175.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.8 t -70.65 -37.81 70.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.81 0.338 . . . . 0.0 110.344 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -63.72 -36.55 84.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.473 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 83' ' ' THR . 97.7 mt -64.38 -51.19 64.5 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 174.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -62.23 -17.15 57.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.411 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.4 -31.51 72.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.773 0.321 . . . . 0.0 110.744 177.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -121.72 -43.36 0.42 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.495 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 24.6 t0 -66.79 112.94 4.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.951 0.405 . . . . 0.0 110.405 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.4 t -98.14 -7.7 29.01 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.06 -175.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.603 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 0.8 OUTLIER -94.76 -21.23 18.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.579 -174.269 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 78.83 36.19 29.43 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.385 -177.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -79.2 -20.4 48.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.087 0.47 . . . . 0.0 110.166 -176.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.51 28.94 41.59 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 -171.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.721 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 6.8 ptmt -143.15 174.5 10.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.753 -0.723 . . . . 0.0 109.494 -171.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.615 ' H ' ' CG2' ' A' ' 59' ' ' VAL . 25.0 mm -115.14 105.31 18.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 167.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.41 ' HA3' ' HG3' ' A' ' 102' ' ' GLU . . . -58.55 137.21 50.41 Favored Glycine 0 N--CA 1.436 -1.358 0 N-CA-C 108.403 -1.879 . . . . 0.0 108.403 167.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.5 m -55.08 -46.71 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.113 0 CA-C-N 117.774 0.787 . . . . 0.0 111.57 -173.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -78.8 -17.56 55.54 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.275 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.41 ' HG3' ' HA3' ' A' ' 99' ' ' GLY . 25.9 mt-10 -68.83 -36.25 77.96 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 172.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.646 ' CE2' HD11 ' A' ' 107' ' ' ILE . 23.6 t80 -64.69 -48.58 74.18 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.086 178.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.63 -36.62 65.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.106 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.79 -36.95 83.58 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.529 0.196 . . . . 0.0 111.529 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.4 ptp -74.28 -24.56 59.27 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.705 -178.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.646 HD11 ' CE2' ' A' ' 103' ' ' PHE . 64.7 mt -78.81 -31.84 15.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.639 0.733 . . . . 0.0 109.794 -178.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.85 -12.61 41.38 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.728 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.735 -0.65 . . . . 0.0 111.413 -178.784 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . 0.603 'CA ' ' OD2' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.9 ttt . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.52 0.2 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.439 ' HB3' ' OD1' ' A' ' 9' ' ' ASP . . . -127.69 131.21 49.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.26 -178.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.6 t80 46.93 76.52 0.1 Allowed 'General case' 0 C--O 1.236 0.368 0 O-C-N 124.285 0.991 . . . . 0.0 111.571 175.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 64.94 16.31 10.45 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.3 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.44 22.26 63.33 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.399 -177.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.0 mt -67.87 -34.78 69.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.434 ' C ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -138.97 157.93 45.12 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.347 175.592 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -100.96 137.58 39.15 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.439 ' OD1' ' HB3' ' A' ' 2' ' ' ALA . 8.5 m-20 -53.82 -38.35 64.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.438 0.637 . . . . 0.0 109.527 174.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.07 -46.15 65.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.19 -177.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.411 ' OD1' ' HA ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -72.76 -41.41 65.12 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.06 0.457 . . . . 0.0 110.757 -174.282 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.425 HD12 HG22 ' A' ' 34' ' ' VAL . 1.4 tp -60.94 -39.26 81.48 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.995 177.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.3 m -75.9 -33.84 59.93 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.919 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.17 -51.64 68.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.877 0.37 . . . . 0.0 110.981 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.442 ' HB2' ' HG3' ' A' ' 33' ' ' LYS . . . -63.71 -44.29 94.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.813 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.671 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 88.8 mt -67.58 -19.02 65.2 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.489 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.66 -34.08 40.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.582 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.76 -34.55 58.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.461 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.671 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 29.4 p -94.09 26.37 3.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -78.93 -12.21 60.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.232 0.539 . . . . 0.0 109.684 177.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.26 124.52 27.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.152 176.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -57.82 113.23 1.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.605 -175.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.78 0.22 66.74 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.049 -0.595 . . . . 0.0 112.562 176.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.1 m -113.36 79.61 1.26 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.1 0.476 . . . . 0.0 110.668 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -115.35 110.23 19.07 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.89 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.45 ' OD2' ' HB2' ' A' ' 29' ' ' ALA . 5.6 p-10 -83.15 80.74 8.96 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.073 0.464 . . . . 0.0 109.998 178.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.447 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 36.1 p-80 -53.34 -46.58 69.56 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.948 -173.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.405 ' O ' HG22 ' A' ' 32' ' ' THR . 84.2 tttt -73.37 -48.93 30.13 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.817 -173.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.502 ' HA ' ' CG2' ' A' ' 32' ' ' THR . . . -61.64 -31.0 71.07 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.043 176.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.684 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 80.4 t80 -54.7 -53.38 55.72 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.315 0.384 . . . . 0.0 110.74 177.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.413 ' CD2' ' HA ' ' A' ' 107' ' ' ILE . 56.1 m-85 -67.22 -34.53 77.68 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -176.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.502 ' CG2' ' HA ' ' A' ' 29' ' ' ALA . 4.9 t -81.76 -24.61 35.94 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.69 -178.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 30' ' ' PHE . 12.9 ptmt -85.74 -21.67 28.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.41 0.624 . . . . 0.0 109.779 176.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.684 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -90.75 -16.95 8.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.373 -179.755 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.26 8.51 64.38 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.902 -0.666 . . . . 0.0 113.09 176.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 16.1 tp -87.1 6.99 29.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.213 0.53 . . . . 0.0 110.577 -177.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.35 -14.42 26.9 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 172.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -124.42 31.93 5.62 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.635 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.449 ' HD2' ' C ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -83.97 179.54 7.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.754 178.79 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 m -101.03 153.39 37.76 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 171.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -45.55 -46.28 14.9 Favored 'Trans proline' 0 C--O 1.237 0.46 0 C-N-CA 123.211 2.607 . . . . 0.0 114.014 -175.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.94 -32.97 74.69 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.59 ' O ' HG22 ' A' ' 47' ' ' VAL . 24.6 m-20 -63.31 -48.14 79.3 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.123 0.487 . . . . 0.0 109.729 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.443 HG21 ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -63.64 -27.98 44.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.493 179.441 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 20.8 tptm -64.22 -46.45 83.83 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.939 0.399 . . . . 0.0 110.595 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.677 ' O ' HG13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -72.12 -24.1 61.42 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.401 179.533 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 43' ' ' ASP . 59.8 t -67.35 -35.97 75.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 173.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.567 ' CG ' HG13 ' A' ' 100' ' ' VAL . 17.5 m-30 -58.21 -38.67 77.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.751 174.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 4.8 pt-20 -77.29 -14.04 59.82 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.662 178.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.677 HG13 ' O ' ' A' ' 46' ' ' LYS . 60.0 mt -71.7 -46.01 63.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 119.132 -0.461 . . . . 0.0 112.23 177.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.561 HD11 ' O ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -61.51 -20.61 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-O 121.458 0.647 . . . . 0.0 109.662 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.445 ' CG ' ' H ' ' A' ' 56' ' ' SER . 15.7 t0 -104.16 76.8 1.37 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.083 -0.962 . . . . 0.0 108.695 173.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.537 ' OE1' ' HB2' ' A' ' 66' ' ' LEU . 18.6 pt20 -56.4 -37.13 69.72 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.35 0.595 . . . . 0.0 110.489 -176.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.739 ' HB3' ' OE2' ' A' ' 63' ' ' GLU . 6.0 t70 -79.03 -19.81 50.53 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.107 176.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt 56.97 63.43 1.93 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 122.41 1.1 . . . . 0.0 110.901 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.495 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -92.22 2.66 56.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 113.977 -1.465 . . . . 0.0 110.098 179.391 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' A' ' 56' ' ' SER . 9.1 m-20 75.04 3.64 4.16 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.761 -171.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -148.33 129.78 14.84 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.259 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.629 ' CG2' ' H ' ' A' ' 98' ' ' ILE . 0.9 OUTLIER -88.94 126.91 41.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.72 0.771 . . . . 0.0 110.114 -175.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -93.3 161.64 14.32 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.141 176.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -69.04 -40.31 78.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 118.465 0.575 . . . . 0.0 110.668 -176.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -65.36 -27.09 68.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.042 0.449 . . . . 0.0 110.05 178.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.739 ' OE2' ' HB3' ' A' ' 54' ' ' ASP . 96.5 mt-10 -72.15 -45.02 62.14 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.136 174.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.583 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 0.3 OUTLIER -67.62 -18.95 65.16 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.288 0.566 . . . . 0.0 110.591 -178.791 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.519 ' O ' HD13 ' A' ' 68' ' ' LEU . 10.3 mptt -63.56 -53.63 48.73 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.198 0.523 . . . . 0.0 110.213 173.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.537 ' HB2' ' OE1' ' A' ' 53' ' ' GLN . 36.2 mt -100.82 5.82 43.59 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.838 -174.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.583 ' HD1' ' O ' ' A' ' 64' ' ' LEU . 0.5 OUTLIER -58.92 -26.37 64.28 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 176.336 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' ' 65' ' ' LYS . 2.7 mt -63.14 -45.0 94.0 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.385 178.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.558 ' HA ' ' O ' ' A' ' 72' ' ' SER . 40.1 mt-30 -72.79 -14.69 61.58 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.438 ' HB3' ' O ' ' A' ' 67' ' ' PHE . 49.8 t30 -80.32 -25.95 39.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.067 176.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -89.59 -47.46 7.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.452 176.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.558 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 71.1 m -147.23 128.39 14.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.024 178.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.42 -22.56 66.23 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -173.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -97.3 48.8 1.53 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.575 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -122.1 150.88 41.54 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.693 -0.298 . . . . 0.0 111.225 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.438 ' O ' HD12 ' A' ' 68' ' ' LEU . 1.4 mpt_? -96.27 136.41 36.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.223 178.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.478 ' HA ' ' CD1' ' A' ' 68' ' ' LEU . . . -78.79 125.12 28.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.86 0.362 . . . . 0.0 111.211 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -76.42 150.13 36.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.721 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 80' ' ' ASP . 49.6 m -144.3 145.79 32.22 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.955 178.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 79' ' ' SER . 8.1 m-20 72.12 -126.84 0.05 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.632 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.2 -30.72 71.27 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -168.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -71.67 -40.24 69.74 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.092 -177.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.7 m -73.62 -37.23 65.45 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 174.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -55.99 -59.32 5.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.069 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.16 -39.98 85.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.172 -177.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -65.77 -37.97 87.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.407 ' CD2' HD11 ' A' ' 64' ' ' LEU . 77.3 mt -64.22 -48.0 77.52 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 174.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -65.49 -16.84 64.06 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -176.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.3 -34.66 72.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.37 0.605 . . . . 0.0 109.989 173.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.484 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -106.52 -53.82 0.71 Allowed Glycine 0 N--CA 1.443 -0.896 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.168 176.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.671 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 20.9 t0 -59.92 101.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 122.889 0.476 . . . . 0.0 110.474 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 17.4 t -97.02 -24.02 15.99 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.165 0.507 . . . . 0.0 110.496 -175.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.655 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 9.6 p-10 -86.85 -9.36 55.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.026 -175.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.64 53.03 4.18 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 121.125 -0.56 . . . . 0.0 114.172 171.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.494 ' OD1' ' HG2' ' A' ' 97' ' ' LYS . 3.5 p30 -108.88 -22.31 12.25 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.92 0.36 . . . . 0.0 111.739 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.15 25.66 21.15 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.674 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.671 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 11.1 ptmt -136.86 174.95 10.07 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 177.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.629 ' H ' ' CG2' ' A' ' 59' ' ' VAL . 11.8 mm -109.0 108.38 25.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 C-N-CA 120.085 -0.646 . . . . 0.0 109.949 172.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -59.5 137.29 50.03 Favored Glycine 0 N--CA 1.431 -1.667 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 167.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.567 HG13 ' CG ' ' A' ' 48' ' ' PHE . 15.2 t -56.84 -38.92 61.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 CA-C-O 121.381 0.61 . . . . 0.0 110.675 -177.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -73.13 -33.32 65.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.225 175.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.484 ' HB3' ' C ' ' A' ' 90' ' ' GLY . 6.2 mm-40 -59.78 -40.9 89.81 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.081 175.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.599 ' CE2' HD13 ' A' ' 107' ' ' ILE . 22.5 t80 -64.51 -52.33 58.37 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.94 -177.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -53.8 -37.97 58.52 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.169 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.38 -33.87 71.92 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.9 ptp -74.04 -26.08 60.21 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.723 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.599 HD13 ' CE2' ' A' ' 103' ' ' PHE . 78.4 mt -74.56 -43.24 48.54 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.584 0 CA-C-O 122.038 0.923 . . . . 0.0 109.228 -177.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.453 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 0.3 OUTLIER -81.41 -27.28 34.83 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.04 -1.436 . . . . 0.0 109.986 179.642 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.148 -0.93 . . . . 0.0 111.279 179.513 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . 0.655 'CA ' ' OD1' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtm . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.523 0.202 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.9 9.24 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.581 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -110.41 -77.82 0.59 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.783 -0.189 . . . . 0.0 110.706 -176.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 58.59 25.63 13.43 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 70.98 -1.2 25.56 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 121.088 -0.577 . . . . 0.0 113.169 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.2 mm -65.02 -31.28 53.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.689 0.757 . . . . 0.0 109.388 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.438 ' O ' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -144.49 145.29 31.79 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.14 175.766 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -93.36 110.18 21.73 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -52.37 -37.09 55.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.035 -176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.13 96.57 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.631 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -69.88 -45.37 67.79 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.35 0.595 . . . . 0.0 109.894 -177.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.438 HG12 ' CD1' ' A' ' 71' ' ' PHE . 1.8 mp -55.35 -52.96 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.228 174.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.3 m -57.91 -32.48 67.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.517 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.48 -53.05 61.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.824 0.345 . . . . 0.0 110.74 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.484 ' HB1' ' CD ' ' A' ' 33' ' ' LYS . . . -58.59 -38.55 78.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.215 175.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.25 -41.44 88.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.862 0.363 . . . . 0.0 110.93 176.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.2 -23.0 65.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.871 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.5 -29.76 30.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.346 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.7 p -110.92 30.37 6.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.16 0.505 . . . . 0.0 111.506 -178.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -82.96 18.07 1.74 Allowed 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 120.979 0.419 . . . . 0.0 111.073 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.83 130.89 20.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.347 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.35 131.72 46.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.989 0.423 . . . . 0.0 109.955 178.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.79 -24.07 33.62 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -170.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.2 t -109.83 38.55 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 176.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.577 ' HB2' ' OE2' ' A' ' 82' ' ' GLU . 22.7 p90 -96.53 122.22 39.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.858 -177.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.38 83.54 1.97 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.586 0.708 . . . . 0.0 110.529 177.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.545 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 6.1 p-80 -68.93 -31.98 71.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.532 -178.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.493 ' O ' HG21 ' A' ' 32' ' ' THR . 65.1 tttp -66.84 -41.61 87.12 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.018 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.461 ' HA ' ' CG2' ' A' ' 32' ' ' THR . . . -59.65 -32.52 70.53 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.374 175.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.638 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 83.5 t80 -57.24 -52.5 65.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.064 177.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -68.06 -37.98 81.91 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.504 -177.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.493 HG21 ' O ' ' A' ' 28' ' ' LYS . 8.2 t -79.62 -26.14 41.24 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -174.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -77.34 -28.64 53.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.465 0.65 . . . . 0.0 109.332 176.145 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.638 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -94.01 -21.99 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.807 -169.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.55 22.35 34.43 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.298 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.483 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 10.0 tp -84.31 -20.27 32.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.686 0.279 . . . . 0.0 111.328 -176.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.91 -13.6 59.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.903 0.383 . . . . 0.0 111.121 -176.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -113.97 38.01 3.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.312 0.577 . . . . 0.0 110.038 176.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 48.9 mmtt -94.89 158.52 15.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.527 0.679 . . . . 0.0 112.436 -176.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.9 m -89.27 163.51 33.71 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.178 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -48.4 -50.54 11.99 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.221 2.614 . . . . 0.0 113.897 -175.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.09 -34.77 78.31 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.897 0.38 . . . . 0.0 111.68 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.566 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 1.3 m-20 -67.95 -50.65 54.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.348 0.594 . . . . 0.0 109.411 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.4 mm -66.79 -28.47 43.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.98 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 21.3 tptm -59.86 -48.33 82.14 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.342 0.591 . . . . 0.0 110.797 177.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.696 ' O ' HG13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -73.87 -20.71 60.34 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.004 179.213 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.559 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 73.6 t -68.31 -39.4 80.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.004 0.43 . . . . 0.0 109.842 172.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.585 ' CG ' HG12 ' A' ' 100' ' ' VAL . 19.8 m-30 -52.99 -41.35 64.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.54 173.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.665 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 7.2 pt-20 -79.95 -14.94 58.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.27 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.696 HG13 ' O ' ' A' ' 46' ' ' LYS . 66.0 mt -67.06 -49.32 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.679 176.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.639 ' HB ' HG12 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -62.3 -36.9 76.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 177.77 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.652 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 38.3 t0 -83.85 64.64 8.19 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.301 176.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.491 HE21 ' HA ' ' A' ' 63' ' ' GLU . 15.8 pt20 -57.58 -30.46 65.29 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.407 0.622 . . . . 0.0 110.854 -173.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -80.85 -19.62 44.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.811 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.8 tptp 59.8 63.77 1.42 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 122.899 0.48 . . . . 0.0 111.377 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.39 13.4 3.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.13 -177.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.3 t70 74.28 -2.96 2.66 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.669 0.788 . . . . 0.0 111.435 178.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -118.93 138.68 52.61 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 173.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.639 HG12 ' HB ' ' A' ' 51' ' ' ILE . 43.3 t -129.1 88.42 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -174.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.516 ' HG2' ' H ' ' A' ' 61' ' ' GLU . 21.9 tt0 -87.32 172.89 9.52 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 122.461 -0.149 . . . . 0.0 110.9 -176.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.516 ' H ' ' HG2' ' A' ' 60' ' ' GLU . 40.2 tt0 -57.49 -43.62 84.26 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -175.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -55.9 -30.62 61.87 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.907 0.384 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.508 ' O ' ' HB3' ' A' ' 67' ' ' PHE . 36.1 mt-10 -69.78 -39.91 76.35 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.759 177.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.551 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 3.5 mp -69.82 -18.91 63.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.89 0.376 . . . . 0.0 111.729 178.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.629 ' O ' HD13 ' A' ' 68' ' ' LEU . 1.5 mptm? -65.41 -49.15 70.31 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.075 0.465 . . . . 0.0 110.19 174.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.3 mt -104.09 3.34 33.05 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -177.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.551 ' HD1' ' O ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -65.91 -26.02 67.42 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 175.919 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.629 HD13 ' O ' ' A' ' 65' ' ' LYS . 1.6 mt -67.73 -38.82 84.08 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 114.07 -1.423 . . . . 0.0 109.911 176.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 72' ' ' SER . 19.5 mm-40 -69.2 -17.33 63.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.121 177.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -80.42 -41.52 24.37 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 173.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.438 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -62.04 -48.62 79.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.335 176.752 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 47.9 t -146.87 137.3 23.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.51 177.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.4 -1.95 29.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.739 -177.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -118.75 28.88 6.53 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.952 177.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.41 158.98 16.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.028 0.442 . . . . 0.0 111.172 -177.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.404 ' O ' HD12 ' A' ' 68' ' ' LEU . 34.2 mmt180 -102.73 142.96 33.01 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.28 118.15 17.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.087 0.47 . . . . 0.0 110.937 -178.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.96 152.28 44.9 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.733 176.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.5 m -145.46 164.39 31.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.011 0.434 . . . . 0.0 111.843 -173.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 56.55 -131.55 1.63 Allowed 'General case' 0 C--O 1.237 0.412 0 CA-C-N 114.969 -1.014 . . . . 0.0 112.417 172.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.14 -26.69 68.46 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.388 -170.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.577 ' OE2' ' HB2' ' A' ' 25' ' ' PHE . 4.9 tp10 -63.41 -65.46 0.68 Allowed 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.582 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -60.68 -31.61 70.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.59 0.233 . . . . 0.0 110.971 -176.594 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.521 ' HZ3' ' HB2' ' A' ' 84' ' ' LYS . 0.1 OUTLIER -68.8 -51.71 37.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.808 0.337 . . . . 0.0 110.968 -177.107 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 99.6 t -71.28 -36.38 61.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.201 0.524 . . . . 0.0 110.064 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -62.7 -35.56 80.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.469 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 83' ' ' THR . 53.1 mt -61.02 -47.96 83.99 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.737 0.303 . . . . 0.0 110.307 172.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -69.57 -19.28 63.68 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -176.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.64 -26.0 66.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.142 0.496 . . . . 0.0 110.12 173.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.561 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -120.23 8.84 11.22 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.956 178.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 41.2 t0 -107.67 99.04 8.56 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 167.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.2 m -93.46 -21.52 19.44 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.235 0.54 . . . . 0.0 110.714 -174.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.59 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 12.9 p-10 -95.25 -17.55 21.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.38 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.11 52.1 4.74 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.851 175.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -106.16 -2.69 22.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.554 0.216 . . . . 0.0 111.191 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.34 30.15 10.34 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 120.775 -0.726 . . . . 0.0 113.357 173.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 11.5 pttm -156.93 170.75 21.79 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -174.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.473 HG12 HD21 ' A' ' 87' ' ' LEU . 20.0 mm -89.16 124.27 41.82 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 169.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.42 ' HA3' ' HG3' ' A' ' 102' ' ' GLU . . . -85.73 136.09 13.99 Favored Glycine 0 N--CA 1.433 -1.558 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 172.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.585 HG12 ' CG ' ' A' ' 48' ' ' PHE . 2.9 t -56.48 -49.87 75.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-O 120.859 0.362 . . . . 0.0 110.682 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -66.65 -29.89 70.03 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.135 0.493 . . . . 0.0 110.828 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.561 ' HB2' ' O ' ' A' ' 90' ' ' GLY . 13.0 mt-10 -77.27 -33.14 55.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.77 -176.144 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.561 ' O ' ' HB3' ' A' ' 106' ' ' MET . 47.0 t80 -72.78 -35.04 67.34 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 122.846 0.458 . . . . 0.0 110.42 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.35 -47.52 90.39 Favored Glycine 0 C--O 1.237 0.324 0 C-N-CA 120.169 -1.015 . . . . 0.0 110.92 174.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.89 -23.91 66.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.255 -0.473 . . . . 0.0 110.253 175.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.561 ' HB3' ' O ' ' A' ' 103' ' ' PHE . 10.9 ttm -66.26 -48.9 68.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.296 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.473 HD12 ' CE2' ' A' ' 103' ' ' PHE . 45.5 mt -69.99 -34.39 59.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.968 0.89 . . . . 0.0 109.263 -174.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.45 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 4.9 tmmm? -77.96 -25.26 48.09 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.271 -1.331 . . . . 0.0 110.93 -178.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.441 -0.79 . . . . 0.0 111.369 -178.017 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . 0.652 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . 0.59 'CA ' ' OD1' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.401 ' HE1' ' O ' ' A' ' 69' ' ' GLN . 73.9 mtm . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 121.077 0.465 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.53 137.48 53.79 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.819 176.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.472 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 30.0 t80 -109.62 -173.64 2.31 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -178.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.423 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -55.06 158.87 2.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.86 0.362 . . . . 0.0 110.801 174.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.15 25.72 1.25 Allowed Glycine 0 N--CA 1.453 -0.183 0 CA-C-N 115.992 -0.549 . . . . 0.0 113.18 -175.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.423 ' H ' ' C ' ' A' ' 4' ' ' ALA . 69.0 mt -68.31 -38.23 79.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.823 0.82 . . . . 0.0 108.835 172.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.443 ' C ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -136.79 147.72 46.79 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.3 178.454 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -101.09 114.35 28.21 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.714 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.65 -29.42 64.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.754 -176.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.76 -41.48 95.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.187 176.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.78 -40.15 79.81 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.012 0.434 . . . . 0.0 110.495 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.485 HG12 ' CE2' ' A' ' 71' ' ' PHE . 1.8 mp -59.41 -47.09 91.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.908 174.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.4 m -62.28 -36.27 81.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.892 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.83 -52.99 62.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.988 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.87 82.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.592 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.411 HD11 ' CB ' ' A' ' 75' ' ' ALA . 39.4 mt -70.46 -42.57 71.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.525 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.67 -17.14 61.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.108 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.76 -33.83 71.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.037 0.446 . . . . 0.0 110.439 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 24' ' ' SER . 35.3 m -127.08 41.96 3.42 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.826 -174.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -81.37 53.73 2.14 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.073 0.463 . . . . 0.0 111.712 -176.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.15 139.66 17.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.494 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.53 122.51 14.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.401 178.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.547 ' H ' ' CD ' ' A' ' 82' ' ' GLU . . . 99.49 -5.56 58.75 Favored Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.544 -177.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.463 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 21.6 t -118.28 -16.59 9.65 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -175.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -56.94 121.45 9.95 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.95 0.405 . . . . 0.0 111.834 -176.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -105.8 93.89 4.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.88 178.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -61.05 -36.27 79.13 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.816 0.817 . . . . 0.0 110.796 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.487 ' HG3' ' CE2' ' A' ' 31' ' ' PHE . 87.0 tttt -76.21 -49.53 16.91 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 114.617 -1.174 . . . . 0.0 110.027 -175.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.06 -34.79 66.26 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.219 176.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.661 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 91.9 t80 -57.34 -59.55 4.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.071 177.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.487 ' CE2' ' HG3' ' A' ' 28' ' ' LYS . 1.2 p90 -60.28 -37.52 80.73 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.309 0.576 . . . . 0.0 111.38 -174.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.469 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 11.2 t -87.22 -29.12 21.95 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.588 -169.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -81.17 -30.21 34.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.797 0.808 . . . . 0.0 109.547 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.661 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -78.19 -35.57 20.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 114.185 -1.37 . . . . 0.0 111.261 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.71 16.07 27.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.647 -177.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.441 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 11.5 tp -74.26 -15.14 60.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.13 0.49 . . . . 0.0 110.367 -175.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.509 ' HA ' HG22 ' A' ' 107' ' ' ILE . . . -76.31 -5.39 46.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.543 -178.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -118.62 29.31 7.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.713 ' HD3' ' OD2' ' A' ' 43' ' ' ASP . 11.3 mmpt? -84.06 135.59 34.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.917 0.389 . . . . 0.0 110.156 178.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.2 m -70.31 156.5 91.77 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.119 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -45.42 -53.94 4.94 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.109 2.54 . . . . 0.0 113.769 -177.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.409 ' O ' ' HB3' ' A' ' 45' ' ' LYS . . . -69.08 -26.56 64.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.296 0.57 . . . . 0.0 111.229 -178.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.713 ' OD2' ' HD3' ' A' ' 39' ' ' LYS . 25.1 t0 -74.91 -37.04 62.18 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.299 0.571 . . . . 0.0 109.534 178.067 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.424 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 4.1 mm -66.7 -24.18 32.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.892 170.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.613 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 4.1 tppp? -69.63 -36.05 75.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.671 177.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.604 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -74.93 -22.33 58.66 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 119.447 -0.901 . . . . 0.0 109.403 173.679 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.562 ' O ' HD13 ' A' ' 51' ' ' ILE . 95.5 t -68.81 -33.82 61.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 171.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.613 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -51.55 -49.31 62.28 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.895 168.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -61.85 -21.17 64.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.65 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.544 ' HB ' ' O ' ' A' ' 47' ' ' VAL . 64.9 mt -73.16 -54.4 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.209 175.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.619 ' HB ' HG12 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -67.65 -30.57 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 118.804 0.729 . . . . 0.0 109.345 177.858 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.648 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 26.5 t0 -84.15 74.32 10.3 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.427 176.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -56.18 -36.87 68.84 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.448 0.642 . . . . 0.0 110.761 -176.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -82.47 -19.19 39.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.845 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.498 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 52.6 tptt 59.12 67.69 0.89 Allowed 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 121.929 0.871 . . . . 0.0 112.139 172.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.1 p -142.05 23.53 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.904 176.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.1 t70 78.54 -1.46 2.44 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.907 0.883 . . . . 0.0 111.509 174.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -121.98 121.01 36.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.864 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.619 HG12 ' HB ' ' A' ' 51' ' ' ILE . 77.9 t -107.56 96.35 4.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.779 0.323 . . . . 0.0 111.202 -176.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.416 ' O ' HD13 ' A' ' 64' ' ' LEU . 45.0 mt-10 -93.14 176.13 6.52 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.427 ' CD ' ' HZ3' ' A' ' 84' ' ' LYS . 7.4 tt0 -70.82 -39.38 73.08 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -175.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -58.49 -31.61 68.02 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 67' ' ' PHE . 44.4 mt-10 -69.2 -55.21 11.26 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.243 173.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.508 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 0.5 OUTLIER -60.17 -18.53 48.63 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -176.709 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.476 ' O ' HD13 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -68.44 -49.38 60.36 Favored 'General case' 0 N--CA 1.435 -1.224 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.286 174.402 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 30.9 mt -103.59 -1.02 28.9 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -175.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.508 ' HD1' ' O ' ' A' ' 64' ' ' LEU . 1.5 p90 -59.86 -29.36 68.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.776 0.798 . . . . 0.0 109.058 -176.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -67.59 -45.34 75.8 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.283 -179.704 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.401 ' O ' ' HE1' ' A' ' 1' ' ' MET . 38.0 mt-30 -74.18 -8.09 54.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.018 -178.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -91.58 -32.55 15.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.312 173.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.485 ' CE2' HG12 ' A' ' 12' ' ' ILE . 5.9 t80 -72.82 -51.12 20.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.558 178.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.8 m -141.27 151.19 43.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.108 0.48 . . . . 0.0 110.771 -178.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.65 -20.98 49.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.774 -175.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -98.16 25.12 28.98 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.03 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.411 ' CB ' HD11 ' A' ' 16' ' ' LEU . . . -95.56 150.2 20.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.974 0.416 . . . . 0.0 111.393 -178.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -107.46 138.83 42.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.777 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -78.89 125.88 29.96 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 176.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.3 mp -77.3 150.78 35.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.786 -178.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.446 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 25.2 m -143.08 158.93 43.15 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.986 176.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.435 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 9.8 m-20 63.06 -140.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.501 0.501 . . . . 0.0 111.246 176.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.29 -20.22 65.28 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -171.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.547 ' CD ' ' H ' ' A' ' 23' ' ' GLY . 6.0 mm-40 -60.94 -53.47 56.83 Favored 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -177.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.576 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 1.4 m -64.71 -36.48 84.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.418 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 80' ' ' ASP . 11.6 mmpt? -58.44 -58.94 6.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.929 0.395 . . . . 0.0 110.439 -179.037 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.7 -36.2 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.74 -178.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -58.89 -42.28 89.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.21 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 83' ' ' THR . 96.9 mt -70.06 -50.36 41.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.311 176.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -58.65 -22.52 56.95 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.73 -31.46 66.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.068 0.461 . . . . 0.0 110.68 176.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.429 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -118.22 -50.38 0.34 Allowed Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.883 178.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.594 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 24.1 t0 -60.29 103.97 0.28 Allowed 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.4 m -95.87 -14.09 23.45 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.131 0.491 . . . . 0.0 110.029 -173.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.625 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 0.1 OUTLIER -78.08 -24.55 47.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.735 177.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 73.76 25.24 72.48 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.843 -174.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.457 ' OD2' ' HB3' ' A' ' 97' ' ' LYS . 1.5 p-10 -87.13 -9.02 56.36 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.513 -0.344 . . . . 0.0 110.794 -172.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.82 29.34 18.6 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.335 -0.936 . . . . 0.0 112.517 174.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.457 ' HB3' ' OD2' ' A' ' 95' ' ' ASP . 0.0 OUTLIER -142.84 156.83 45.01 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -177.251 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.557 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 14.4 mm -102.4 101.08 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.574 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.046 172.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.91 139.47 42.87 Favored Glycine 0 N--CA 1.432 -1.575 0 N-CA-C 107.716 -2.154 . . . . 0.0 107.716 162.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.425 ' CG2' ' HB2' ' A' ' 48' ' ' PHE . 97.4 t -62.44 -39.56 84.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 CA-C-N 117.755 0.778 . . . . 0.0 110.691 -174.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -63.07 -35.07 79.04 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.087 172.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.473 ' CD ' ' HA ' ' A' ' 91' ' ' ASP . 14.2 mt-10 -66.09 -41.07 91.14 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.94 176.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.557 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . 14.6 t80 -64.55 -46.55 82.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.378 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.48 -35.92 74.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.799 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.63 -22.57 63.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.516 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 8.1 ptp -87.63 -25.02 23.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.166 0.508 . . . . 0.0 109.862 177.148 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.509 HG22 ' HA ' ' A' ' 37' ' ' ALA . 85.1 mt -79.57 -42.21 22.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.863 0.84 . . . . 0.0 109.409 -178.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.475 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 0.9 OUTLIER -83.61 -30.17 27.15 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.568 -1.196 . . . . 0.0 109.764 179.568 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.136 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.981 -176.766 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . 0.648 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . 0.625 'CA ' ' OD2' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.4 ttp . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 121.012 0.434 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.16 44.64 0.96 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.475 -177.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -120.42 178.17 4.76 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.765 177.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.26 -30.84 69.05 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.939 0.4 . . . . 0.0 111.199 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.21 4.81 28.95 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.483 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.0 mt -58.46 -40.56 78.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.51 0.672 . . . . 0.0 109.385 174.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.67 150.64 29.87 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.66 175.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -101.12 108.32 19.97 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -49.09 -38.27 24.1 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.423 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.27 -46.94 81.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.421 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.2 -37.95 78.37 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.938 0.399 . . . . 0.0 110.989 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.24 -47.21 94.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.752 174.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.6 m -58.95 -36.99 75.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.143 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.27 -47.53 83.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.199 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.36 -41.31 98.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.089 0.471 . . . . 0.0 110.302 177.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.52 -19.59 65.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.158 178.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.71 -31.07 36.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.026 0.441 . . . . 0.0 110.51 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.43 -43.66 26.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.317 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.465 ' HB3' ' OE1' ' A' ' 82' ' ' GLU . 36.6 m -89.45 17.51 6.18 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.139 -177.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -74.38 -42.42 59.31 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.23 118.2 17.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.745 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -60.28 122.41 14.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.93 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.12 -26.28 14.13 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -175.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.8 m -96.97 48.86 1.06 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.351 0.596 . . . . 0.0 109.986 178.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.424 ' CE1' HG12 ' A' ' 85' ' ' VAL . 3.8 p90 -90.66 131.57 36.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.907 -174.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -138.9 91.85 2.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.882 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -61.43 -31.59 71.54 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.637 0.732 . . . . 0.0 109.899 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.589 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 88.7 tttt -68.22 -47.12 68.7 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.236 -177.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.22 -38.63 71.32 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.384 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -61.42 -54.35 44.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.081 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.599 ' CE1' ' HB ' ' A' ' 32' ' ' THR . 1.8 p90 -65.91 -42.46 90.13 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.935 0.398 . . . . 0.0 111.471 -173.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.599 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 5.8 t -87.1 -21.73 25.83 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -168.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -74.7 -48.59 25.1 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.032 0.444 . . . . 0.0 110.469 177.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 m -78.48 -5.06 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.85 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.824 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.459 ' O ' ' HG2' ' A' ' 39' ' ' LYS . . . 71.16 34.57 64.46 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.45 -0.796 . . . . 0.0 112.318 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.465 HD11 ' HG3' ' A' ' 39' ' ' LYS . 22.0 tp -77.1 -29.41 54.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.784 0.326 . . . . 0.0 110.738 -177.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.516 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . . . -69.82 -21.51 63.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.021 0.438 . . . . 0.0 110.357 179.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.67 23.91 9.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.593 177.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.465 ' HG3' HD11 ' A' ' 36' ' ' LEU . 43.7 mmtm -97.16 150.26 21.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.101 0.477 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.403 ' OG ' ' HD2' ' A' ' 41' ' ' PRO . 8.5 t -80.44 151.3 71.82 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.426 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.403 ' HD2' ' OG ' ' A' ' 40' ' ' SER . 43.4 Cg_exo -38.91 -50.36 2.59 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.565 2.844 . . . . 0.0 114.296 -178.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.5 -40.22 78.19 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.584 ' O ' HG21 ' A' ' 47' ' ' VAL . 25.1 m-20 -65.97 -49.49 67.7 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.29 0.566 . . . . 0.0 109.565 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.9 mt -67.52 -26.98 36.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.219 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 25.2 mmtp -61.61 -45.76 92.71 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.793 0.33 . . . . 0.0 111.232 176.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -72.69 -24.74 61.05 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.019 179.32 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.598 ' O ' HD12 ' A' ' 51' ' ' ILE . 60.9 t -67.84 -33.68 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 173.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.66 ' CG ' HG13 ' A' ' 100' ' ' VAL . 20.6 m-30 -57.05 -40.02 75.99 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.342 0.592 . . . . 0.0 110.12 172.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.58 -24.08 66.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.993 177.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.517 ' CD1' ' HA ' ' A' ' 47' ' ' VAL . 45.7 mt -70.9 -45.13 74.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.598 HD12 ' O ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -64.56 -24.8 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 176.85 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.613 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 20.2 t0 -87.07 62.87 7.6 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.236 173.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.96 -47.33 52.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.8 0.81 . . . . 0.0 109.915 -178.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -78.29 -15.03 59.16 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.606 -177.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm 59.29 64.63 1.32 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.98 0.895 . . . . 0.0 111.033 -178.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.453 ' C ' ' H ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -110.88 3.76 19.17 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.57 -1.196 . . . . 0.0 110.692 -173.713 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 56' ' ' SER . 31.9 m-20 72.47 -2.41 2.63 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.805 0.842 . . . . 0.0 109.826 -171.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.453 ' H ' ' C ' ' A' ' 56' ' ' SER . 95.8 m-85 -144.96 140.36 28.16 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.656 -1.156 . . . . 0.0 108.107 175.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.799 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 0.8 OUTLIER -99.26 126.67 52.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -179.726 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -91.89 172.72 8.27 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.595 175.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.88 -44.21 93.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.676 0.274 . . . . 0.0 110.485 177.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -65.83 -27.63 68.39 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.288 0.566 . . . . 0.0 110.006 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 67' ' ' PHE . 32.5 mt-10 -66.24 -37.53 85.73 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.273 174.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.579 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -70.65 -26.62 63.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.048 0.452 . . . . 0.0 110.829 178.567 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.656 ' O ' HD13 ' A' ' 68' ' ' LEU . 1.4 mptm? -63.01 -43.89 97.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.421 0.629 . . . . 0.0 110.422 176.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.8 mt -103.31 -0.42 30.26 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.191 -175.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.579 ' HD1' ' O ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -65.94 -25.38 67.1 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.511 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.656 HD13 ' O ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -67.27 -43.08 82.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.289 178.705 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -72.16 -15.0 61.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.571 177.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.423 ' ND2' ' HA ' ' A' ' 50' ' ' ILE . 51.5 t30 -87.44 -26.84 23.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.345 176.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -77.85 -46.17 22.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.57 -177.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.1 p -127.87 -169.3 2.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.297 -175.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.49 -44.0 25.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.731 0.3 . . . . 0.0 111.515 -177.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -146.62 98.81 0.2 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.95 -177.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -122.27 133.62 54.69 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.929 0.395 . . . . 0.0 111.522 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.523 ' HD3' ' N ' ' A' ' 76' ' ' ARG . 0.6 OUTLIER -64.09 135.05 56.04 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.599 174.881 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.42 117.93 16.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.152 0.501 . . . . 0.0 110.639 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.493 ' HG ' ' HG2' ' A' ' 82' ' ' GLU . 6.6 mp -64.93 139.86 58.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.317 177.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.2 t -146.74 170.46 16.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.578 -175.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.414 ' HB3' ' H ' ' A' ' 81' ' ' ALA . 1.2 m-20 67.76 -149.5 0.16 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.714 175.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.701 ' O ' HG11 ' A' ' 85' ' ' VAL . . . -58.09 -24.13 57.41 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -175.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.493 ' HG2' ' HG ' ' A' ' 78' ' ' LEU . 6.4 tp10 -55.91 -60.98 2.7 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 123.334 0.396 . . . . 0.0 110.637 -179.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.19 -33.14 68.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.623 0.249 . . . . 0.0 110.702 -177.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -62.7 -61.89 2.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.179 0.514 . . . . 0.0 111.409 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.701 HG11 ' O ' ' A' ' 81' ' ' ALA . 2.3 p -68.39 -35.59 71.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.73 -178.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -62.78 -42.62 99.78 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.229 178.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.45 HD22 HG12 ' A' ' 98' ' ' ILE . 61.4 mt -62.1 -44.74 96.0 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.993 0.425 . . . . 0.0 110.271 173.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -64.27 -16.97 63.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.738 -174.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.487 ' HB1' ' HE3' ' A' ' 106' ' ' MET . . . -56.22 -37.58 69.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.195 0.521 . . . . 0.0 109.716 172.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.45 ' O ' ' HB3' ' A' ' 102' ' ' GLU . . . -104.87 -47.38 1.18 Allowed Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.557 178.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.552 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 10.4 t0 -59.33 101.35 0.1 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.332 0.586 . . . . 0.0 110.577 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.4 m -98.81 -7.74 26.97 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.762 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.631 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 6.4 m-20 -87.85 -24.29 23.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.797 -176.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.39 33.08 29.38 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 110.002 -1.239 . . . . 0.0 110.002 -169.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.662 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 6.7 p30 -91.39 -19.08 23.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.27 -0.465 . . . . 0.0 111.754 -175.089 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.02 28.27 54.53 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.129 178.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.799 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 10.1 ptmt -146.42 175.18 10.74 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -177.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.572 ' H ' ' CG2' ' A' ' 59' ' ' VAL . 26.7 mm -109.0 105.25 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.098 0 C-N-CA 119.753 -0.779 . . . . 0.0 110.04 175.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.4 136.7 49.26 Favored Glycine 0 N--CA 1.43 -1.724 0 N-CA-C 108.188 -1.965 . . . . 0.0 108.188 166.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.66 HG13 ' CG ' ' A' ' 48' ' ' PHE . 5.6 t -57.73 -42.63 82.2 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 CA-C-O 121.514 0.673 . . . . 0.0 110.77 -176.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -67.72 -33.45 74.9 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.082 175.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.45 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 28.1 mt-10 -67.07 -34.01 76.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.64 178.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.702 ' O ' ' HG2' ' A' ' 106' ' ' MET . 51.8 t80 -62.27 -44.81 95.69 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -53.57 -43.81 67.8 Favored Glycine 0 CA--C 1.52 0.394 0 C-N-CA 120.122 -1.037 . . . . 0.0 111.507 175.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.35 97.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.502 -0.349 . . . . 0.0 111.84 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.702 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 17.8 ptm -72.73 -21.45 61.03 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 111.51 0.189 . . . . 0.0 111.51 -176.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.622 HG13 ' O ' ' A' ' 103' ' ' PHE . 69.9 mt -73.45 -37.01 49.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 122.136 0.97 . . . . 0.0 108.591 177.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.438 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 4.0 tmmm? -86.5 -21.31 27.05 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 113.998 -1.455 . . . . 0.0 111.24 -178.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.772 -0.632 . . . . 0.0 111.776 -176.099 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . 0.613 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . 0.662 'CA ' ' OD2' ' A' ' 95' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 120.813 0.34 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.6 78.72 9.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.978 0.418 . . . . 0.0 110.321 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -136.28 33.2 2.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.186 0.517 . . . . 0.0 110.696 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 66.16 6.64 4.3 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.103 -0.953 . . . . 0.0 112.557 174.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 66.69 8.45 47.22 Favored Glycine 0 CA--C 1.519 0.293 0 CA-C-N 116.418 -0.355 . . . . 0.0 113.403 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.3 mt -70.21 -36.23 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.728 . . . . 0.0 109.386 176.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.465 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -130.73 146.4 52.19 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.476 176.628 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -89.86 106.69 18.64 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.42 -30.83 65.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -175.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.8 -35.82 80.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.076 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.41 -41.25 63.52 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.114 0.483 . . . . 0.0 110.361 178.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.54 -48.41 87.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.845 173.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.1 m -62.44 -32.93 73.86 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.953 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.14 -49.67 68.98 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.872 0.368 . . . . 0.0 110.767 178.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.69 -43.92 90.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.783 176.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.9 -26.61 64.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.546 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.9 -28.29 66.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.056 0.455 . . . . 0.0 110.346 176.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.18 -41.91 14.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.267 0.556 . . . . 0.0 110.01 173.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 49.7 t -87.84 34.35 0.72 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.216 -176.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -102.06 -9.87 20.19 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.184 0.516 . . . . 0.0 109.833 173.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.3 114.55 11.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.994 -177.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.402 ' HA ' ' CZ ' ' A' ' 25' ' ' PHE . 41.1 mt-10 -62.06 126.47 27.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.2 178.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.61 2.75 84.49 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.363 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.9 m -148.85 71.62 1.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.245 0.545 . . . . 0.0 110.804 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.433 ' HB3' ' SG ' ' A' ' 19' ' ' CYS . 78.3 m-85 -108.47 148.76 29.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.997 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.484 ' HB3' ' HB2' ' A' ' 29' ' ' ALA . 8.0 m-20 -124.6 84.64 2.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.476 0.655 . . . . 0.0 110.269 176.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.493 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 7.3 t60 -68.12 -46.23 71.45 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.301 -175.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.504 ' HE3' ' O ' ' A' ' 109' ' ' ALA . 85.6 tttt -66.39 -46.48 76.51 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.072 178.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.484 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . . . -58.4 -32.03 68.24 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.406 178.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.493 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 91.3 t80 -56.26 -55.63 30.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.501 175.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -61.19 -43.0 99.57 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -177.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.44 ' CG2' ' HA ' ' A' ' 29' ' ' ALA . 3.9 t -75.84 -21.73 56.96 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.684 -177.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -81.94 -45.5 15.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.711 0.291 . . . . 0.0 110.963 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.9 m -80.49 -10.79 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-O 121.027 0.441 . . . . 0.0 111.47 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.9 25.97 56.89 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.58 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.0 tp -76.34 -14.46 60.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.219 0.533 . . . . 0.0 110.099 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.416 ' HA ' HG23 ' A' ' 107' ' ' ILE . . . -73.59 -12.47 60.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.213 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -103.04 26.8 7.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.987 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -94.81 139.79 30.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.278 0.561 . . . . 0.0 111.107 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.8 t -82.56 153.05 67.85 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.767 176.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -41.2 -36.55 2.5 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.109 2.539 . . . . 0.0 114.07 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.39 -46.41 88.75 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.633 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 29.0 t70 -79.28 -26.91 42.25 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-O 121.222 0.534 . . . . 0.0 110.126 -177.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.1 mm -72.42 -21.81 20.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-O 121.42 0.629 . . . . 0.0 109.713 172.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.707 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 21.7 tptm -71.55 -39.37 70.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.573 175.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.633 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -69.9 -28.01 65.27 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.262 173.41 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 43' ' ' ASP . 69.7 t -63.79 -37.7 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.754 172.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.707 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -47.22 -50.56 20.75 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.02 0.438 . . . . 0.0 110.555 169.385 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -65.44 -17.75 64.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.824 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.651 ' HA ' ' ND2' ' A' ' 70' ' ' ASN . 28.3 mt -81.84 -46.31 19.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-O 119.375 -0.345 . . . . 0.0 111.759 176.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.637 ' HB ' HG12 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -67.18 -29.59 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 176.081 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -83.59 61.55 6.32 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 171.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.483 ' OE1' ' HB2' ' A' ' 70' ' ' ASN . 15.6 tp60 -45.35 -46.35 12.96 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.414 0.626 . . . . 0.0 111.524 -178.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.792 ' HB3' ' OE2' ' A' ' 63' ' ' GLU . 0.7 OUTLIER -79.65 -16.66 55.37 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.112 -0.949 . . . . 0.0 112.142 -177.575 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.445 ' HB3' ' HZ2' ' A' ' 55' ' ' LYS . 4.7 mmmp? 63.65 65.5 0.73 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.479 0.656 . . . . 0.0 111.036 178.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.97 9.46 26.5 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.058 -176.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 63.52 14.4 8.0 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.702 0.763 . . . . 0.0 109.548 -171.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -151.54 132.28 14.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.17 -1.377 . . . . 0.0 107.581 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.637 HG12 ' HB ' ' A' ' 51' ' ' ILE . 72.2 t -97.46 111.9 28.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-O 121.074 0.464 . . . . 0.0 111.664 -175.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -92.98 179.41 5.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.598 -175.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -78.43 -45.37 22.43 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.966 0.412 . . . . 0.0 111.08 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -64.53 -19.15 65.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.563 0.697 . . . . 0.0 109.908 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.792 ' OE2' ' HB3' ' A' ' 54' ' ' ASP . 83.7 mt-10 -75.85 -36.19 59.69 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.674 174.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.401 ' HG ' ' CD1' ' A' ' 87' ' ' LEU . 3.2 mm? -66.13 -21.69 66.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.077 0.465 . . . . 0.0 110.232 175.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.512 ' O ' HD23 ' A' ' 68' ' ' LEU . 9.2 mptt -63.59 -52.76 59.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.269 175.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -100.93 4.69 42.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.956 0.408 . . . . 0.0 111.557 -177.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.538 ' CD1' HG22 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -50.96 -31.2 17.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.797 0.808 . . . . 0.0 109.636 174.014 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 2.7 mm? -63.91 -55.82 19.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.871 -1.059 . . . . 0.0 111.395 -177.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -74.15 -4.49 36.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.266 0.555 . . . . 0.0 110.221 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.651 ' ND2' ' HA ' ' A' ' 50' ' ' ILE . 64.1 t30 -89.09 -25.88 21.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.151 174.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -84.5 -39.83 18.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.953 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.7 p -143.36 162.22 36.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.14 -174.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.29 -9.26 55.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.766 -174.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -134.8 66.23 0.57 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.787 -0.721 . . . . 0.0 111.874 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.427 ' HB2' ' HB3' ' A' ' 68' ' ' LEU . . . -121.91 166.07 14.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.014 0.435 . . . . 0.0 111.833 -175.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.537 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 20.1 mmm180 -115.27 136.01 53.55 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.772 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.4 118.6 12.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.095 0.474 . . . . 0.0 110.687 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 69.3 mt -70.2 139.77 52.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.736 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.5 m -143.19 173.96 11.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.762 0.315 . . . . 0.0 111.573 -176.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.49 ' O ' ' HG3' ' A' ' 84' ' ' LYS . 6.2 t70 56.62 -146.18 0.58 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.644 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.713 ' O ' HG11 ' A' ' 85' ' ' VAL . . . -50.67 -35.02 28.81 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -172.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.704 ' O ' ' HB2' ' A' ' 86' ' ' PHE . 17.4 tp10 -53.09 -50.18 64.93 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 123.191 0.307 . . . . 0.0 110.917 -176.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.78 ' O ' ' HB2' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -70.18 -28.02 64.98 Favored 'General case' 0 C--O 1.21 -1.017 0 C-N-CA 119.726 -0.79 . . . . 0.0 110.572 -179.005 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 80' ' ' ASP . 31.0 mtpt -78.4 -62.65 1.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.939 0.399 . . . . 0.0 111.447 -174.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.713 HG11 ' O ' ' A' ' 81' ' ' ALA . 2.8 p -69.99 -36.05 67.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.167 -175.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.704 ' HB2' ' O ' ' A' ' 82' ' ' GLU . 41.2 m-85 -85.02 -17.03 38.8 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -176.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.78 ' HB2' ' O ' ' A' ' 83' ' ' THR . 19.3 tp -63.86 -42.8 97.47 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 163.394 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 34.9 mmtp -75.06 -15.63 60.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.406 -178.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.58 -37.29 62.79 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 169.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.522 ' N ' ' HE1' ' A' ' 106' ' ' MET . . . -96.24 -58.33 1.09 Allowed Glycine 0 N--CA 1.438 -1.205 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.767 175.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.608 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 20.6 t0 -64.17 100.52 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.938 0.399 . . . . 0.0 110.773 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.3 m -97.17 -5.27 37.53 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.246 0.546 . . . . 0.0 109.841 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.619 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 0.3 OUTLIER -83.32 -26.24 30.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.753 -179.005 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.37 43.93 9.09 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.809 -176.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -109.43 -21.2 12.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.714 0.292 . . . . 0.0 111.665 -175.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.89 28.2 16.53 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.576 177.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.608 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 1.6 ptmm? -137.17 162.25 33.95 Favored 'General case' 0 CA--C 1.505 -0.755 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.581 ' HB ' HG12 ' A' ' 59' ' ' VAL . 16.1 mm -106.82 98.99 7.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 CA-C-O 121.395 0.617 . . . . 0.0 109.693 176.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.487 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -60.24 138.11 48.8 Favored Glycine 0 N--CA 1.43 -1.75 0 N-CA-C 108.399 -1.88 . . . . 0.0 108.399 165.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.487 ' CG2' ' HB2' ' A' ' 48' ' ' PHE . 84.3 t -65.82 -41.86 91.04 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-O 121.263 0.554 . . . . 0.0 110.388 -175.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.27 -33.75 72.76 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.154 171.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' A' ' 99' ' ' GLY . 9.2 mm-40 -68.82 -41.01 79.18 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.668 177.155 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.491 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . 25.9 t80 -65.6 -45.81 81.74 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.053 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.88 -34.81 72.74 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.559 176.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.96 89.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.853 -0.174 . . . . 0.0 111.202 178.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.522 ' HE1' ' N ' ' A' ' 90' ' ' GLY . 7.7 ptp -74.69 -21.9 59.14 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.965 0.412 . . . . 0.0 110.469 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.448 HD12 ' CE2' ' A' ' 103' ' ' PHE . 71.7 mt -78.78 -38.34 21.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.89 0.853 . . . . 0.0 109.403 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -84.2 -22.99 30.71 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.508 -176.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.504 ' O ' ' HE3' ' A' ' 28' ' ' LYS . . . . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.163 -0.923 . . . . 0.0 110.468 178.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . 0.619 'CA ' ' OD1' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ptp . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 120.937 0.399 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.32 -28.6 59.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.912 -177.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.522 ' CE2' ' HB2' ' A' ' 9' ' ' ASP . 64.6 m-85 -117.45 137.17 52.69 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.756 177.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.16 4.15 27.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.393 -176.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 96.34 -9.66 67.21 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.7 -178.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.69 -36.29 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-O 121.491 0.662 . . . . 0.0 109.972 177.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.594 ' HG ' ' CE1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -138.32 140.07 39.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.391 -0.822 . . . . 0.0 108.991 172.255 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.447 ' N ' HD21 ' A' ' 8' ' ' ASN . 0.9 OUTLIER -97.26 113.72 25.38 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.206 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.522 ' HB2' ' CE2' ' A' ' 3' ' ' PHE . 9.2 t70 -49.6 -37.59 28.28 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.802 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.39 -33.47 73.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.616 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -82.55 -41.01 20.16 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.588 0.708 . . . . 0.0 110.15 -177.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.21 -46.44 96.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.756 175.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.6 m -59.76 -31.58 69.78 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.223 174.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.07 -51.65 56.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.812 177.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.3 -41.61 72.55 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.815 0.34 . . . . 0.0 111.405 174.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 75' ' ' ALA . 47.6 mt -71.0 -36.17 72.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.376 -178.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.12 -22.91 59.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.137 0.494 . . . . 0.0 110.638 178.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.54 -22.31 61.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.413 0.625 . . . . 0.0 109.397 173.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.3 m -103.51 32.74 3.67 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.186 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.487 ' HB2' ' HZ1' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -68.9 -12.03 61.19 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.995 179.429 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.71 115.62 9.16 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.32 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -55.73 113.21 1.38 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.388 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.61 0.28 76.01 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.899 -0.667 . . . . 0.0 113.157 175.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.9 m -124.08 80.44 1.82 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.947 0.403 . . . . 0.0 110.807 -177.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -94.5 136.41 34.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.32 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -102.26 91.02 4.11 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.169 0.509 . . . . 0.0 109.733 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -25.41 61.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.945 -179.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.621 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 62.8 tttm -71.7 -51.4 23.1 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.692 -175.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.632 ' O ' ' HB3' ' A' ' 33' ' ' LYS . . . -55.82 -37.2 68.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.466 0.65 . . . . 0.0 110.169 175.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.544 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 66.2 t80 -67.04 -28.55 68.31 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.313 -177.362 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.659 ' CE1' ' HB ' ' A' ' 32' ' ' THR . 3.1 p90 -89.14 -49.48 6.72 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 119.743 -0.783 . . . . 0.0 111.753 175.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.659 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 4.6 t -86.64 -39.18 16.34 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -167.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.632 ' HB3' ' O ' ' A' ' 29' ' ' ALA . 5.8 tmtm? -80.99 -28.14 35.64 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.828 0.823 . . . . 0.0 108.996 -176.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.544 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 1.3 t -69.36 -33.6 58.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.146 169.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.0 22.96 28.84 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.133 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.479 HD12 ' HG3' ' A' ' 39' ' ' LYS . 20.8 tp -84.33 -20.93 31.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.648 0.261 . . . . 0.0 111.235 -176.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.29 -33.0 74.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.638 0.256 . . . . 0.0 111.467 -177.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.53 28.01 3.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.027 0.441 . . . . 0.0 111.179 -179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.479 ' HG3' HD12 ' A' ' 36' ' ' LEU . 44.0 mmtm -96.63 151.05 19.98 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.675 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 m -74.26 154.14 88.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.599 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -43.19 -46.47 9.25 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.069 2.513 . . . . 0.0 113.262 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.43 -41.79 85.85 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.713 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 69.7 m-20 -73.71 -39.41 64.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.519 0.676 . . . . 0.0 110.334 -177.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.5 mt -72.13 -25.06 23.06 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-O 121.151 0.501 . . . . 0.0 110.353 176.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 48.6 tptt -64.51 -43.96 92.43 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.868 176.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.713 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -66.22 -32.07 73.28 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.521 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.618 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 94.0 t -64.67 -32.78 59.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.895 173.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.512 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 17.0 m-30 -59.36 -30.39 68.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.376 0.608 . . . . 0.0 110.148 174.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.42 ' HB3' ' HD3' ' A' ' 55' ' ' LYS . 42.4 mt-10 -80.21 -19.06 47.84 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.963 174.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.618 ' HB ' ' O ' ' A' ' 47' ' ' VAL . 0.3 OUTLIER -65.02 -45.89 93.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 177.727 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.619 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -64.84 -31.82 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 176.231 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.638 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 28.5 t0 -85.36 67.2 10.05 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.963 177.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -48.49 -46.71 38.58 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.272 0.558 . . . . 0.0 111.051 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -71.56 -18.85 62.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.995 -177.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.42 ' HD3' ' HB3' ' A' ' 49' ' ' GLU . 21.0 mmmt 56.0 64.32 1.76 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.12 0.486 . . . . 0.0 111.843 -178.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.4 p -130.25 10.49 5.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.781 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 73.59 -1.16 3.14 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.799 0.839 . . . . 0.0 111.623 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -118.52 122.76 43.46 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 174.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.753 ' HA ' ' OE1' ' A' ' 63' ' ' GLU . 15.7 t -115.5 94.75 3.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 120.585 0.231 . . . . 0.0 111.433 -172.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -92.7 179.95 5.34 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -172.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -69.52 -47.56 63.38 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.388 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 30.9 m-20 -62.11 -20.82 64.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.517 0.675 . . . . 0.0 110.039 -178.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.753 ' OE1' ' HA ' ' A' ' 59' ' ' VAL . 47.0 tt0 -80.65 -43.47 20.39 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.024 177.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.578 ' O ' ' HD2' ' A' ' 67' ' ' PHE . 0.5 OUTLIER -62.18 -18.1 60.01 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.574 175.726 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.414 ' HB3' HD23 ' A' ' 66' ' ' LEU . 11.2 mptt -55.0 -55.77 27.14 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.797 175.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.414 HD23 ' HB3' ' A' ' 65' ' ' LYS . 1.6 mm? -102.71 5.02 38.73 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.578 ' HD2' ' O ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -60.31 -29.99 69.2 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.031 -177.433 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.512 ' HG ' ' CE2' ' A' ' 67' ' ' PHE . 0.7 OUTLIER -71.7 -36.0 70.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.254 -178.634 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -77.61 -10.3 59.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.481 0.658 . . . . 0.0 109.403 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -86.77 -26.16 24.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.961 173.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.594 ' CE1' ' HG ' ' A' ' 7' ' ' LEU . 6.8 t80 -83.08 -51.95 7.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.199 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.1 m -142.0 173.56 11.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.262 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.63 -44.83 10.92 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -174.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.34 49.67 4.23 Favored Glycine 0 CA--C 1.512 -0.105 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.379 -176.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.406 ' HA ' HD11 ' A' ' 16' ' ' LEU . . . -104.21 161.93 13.62 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.076 0.465 . . . . 0.0 111.465 -176.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -110.38 132.43 54.18 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 177.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.3 117.04 14.56 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.129 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 43.2 mt -63.55 121.03 12.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.44 -177.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.518 ' O ' ' HG3' ' A' ' 82' ' ' GLU . 6.5 m -124.71 133.95 53.01 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 -177.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 64.73 -113.34 0.32 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.83 175.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.69 -26.09 65.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.879 0.371 . . . . 0.0 111.529 -172.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' A' ' 79' ' ' SER . 7.5 mt-10 -64.27 -51.04 65.53 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.435 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -66.87 -42.94 84.79 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.287 177.465 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 56.5 tttm -57.03 -60.29 3.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.743 -177.144 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.8 t -65.59 -39.41 84.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.036 0.446 . . . . 0.0 110.918 -177.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -63.53 -41.73 98.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.131 -178.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.443 ' CD2' HG12 ' A' ' 98' ' ' ILE . 88.1 mt -62.63 -41.61 99.12 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 176.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 73.5 mmtt -65.32 -21.93 66.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.707 -177.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.79 -23.21 67.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.915 177.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.405 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -122.28 -51.56 0.23 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.928 -178.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.639 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 29.4 t70 -61.32 114.18 3.04 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.786 0.327 . . . . 0.0 111.037 -177.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.4 t -95.03 -13.47 25.19 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.029 0.442 . . . . 0.0 110.202 -176.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.643 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 0.9 OUTLIER -84.16 -26.0 29.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.424 -174.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.62 37.0 21.48 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.522 -176.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -103.34 -20.55 14.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.687 0.279 . . . . 0.0 111.325 -175.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.41 28.77 12.18 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.893 176.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.602 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 9.9 ptmt -132.92 171.82 13.43 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 179.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.588 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 24.9 mm -112.56 100.05 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.398 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.777 172.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.11 141.33 48.12 Favored Glycine 0 N--CA 1.43 -1.72 0 N-CA-C 108.322 -1.911 . . . . 0.0 108.322 165.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.1 m -52.12 -45.65 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.275 0 CA-C-N 117.427 0.613 . . . . 0.0 111.762 -176.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -75.78 -25.6 56.56 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.437 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.405 ' HB3' ' C ' ' A' ' 90' ' ' GLY . 6.0 mm-40 -61.39 -42.66 99.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.742 174.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.588 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . 26.7 t80 -64.79 -42.58 94.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.225 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.1 -37.63 64.14 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.079 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.85 -33.52 75.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.882 -0.159 . . . . 0.0 111.426 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 6.3 ptp -82.97 -19.87 36.28 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.844 -177.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 103' ' ' PHE . 68.2 mt -78.23 -31.13 16.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 122.14 0.971 . . . . 0.0 109.147 176.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -92.44 -27.55 17.4 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.478 -174.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.657 -0.687 . . . . 0.0 110.941 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . 0.638 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . 0.643 'CA ' ' OD2' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptm . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.753 0.311 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.26 137.65 40.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.997 -177.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -130.11 150.58 51.31 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.822 177.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.26 144.16 30.83 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.79 3.07 4.1 Favored Glycine 0 C--N 1.331 0.288 0 O-C-N 123.278 0.361 . . . . 0.0 113.269 -176.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.7 mt -61.12 -33.36 55.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.418 0.628 . . . . 0.0 109.474 172.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -141.51 132.86 26.63 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.049 179.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -89.47 110.81 21.6 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -53.94 -31.28 49.87 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.301 -177.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.02 -41.68 77.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.818 176.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.56 -42.82 82.01 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 120.91 0.386 . . . . 0.0 110.823 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.56 -49.58 77.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.799 175.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.6 m -61.77 -37.0 82.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.16 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.39 -56.34 23.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.592 0.234 . . . . 0.0 111.454 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.544 ' HB2' ' HG2' ' A' ' 33' ' ' LYS . . . -59.56 -40.62 87.91 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 178.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.3 mt -68.2 -32.45 72.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.313 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.475 ' HA ' ' NH1' ' A' ' 76' ' ' ARG . . . -69.53 -32.15 70.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.9 179.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.01 -3.88 44.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.399 0.619 . . . . 0.0 110.242 178.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.7 m -116.18 62.64 0.71 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.467 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.477 ' HB3' ' HZ3' ' A' ' 20' ' ' LYS . 7.0 ttpm? -102.4 -26.19 13.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.103 0.478 . . . . 0.0 109.896 175.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.404 ' HB1' ' HB3' ' A' ' 24' ' ' SER . . . -70.44 127.41 32.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.939 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -62.4 119.97 10.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.838 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.69 2.12 67.57 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.48 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.404 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 32.9 t -126.39 58.15 1.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.271 0.558 . . . . 0.0 110.263 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.568 ' CD1' ' HG3' ' A' ' 82' ' ' GLU . 50.0 m-85 -102.39 103.79 14.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.202 176.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.411 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 7.8 m-20 -78.72 80.32 5.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.056 -177.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -62.99 -34.56 77.8 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.77 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.595 ' HG3' ' CE2' ' A' ' 31' ' ' PHE . 39.7 ttmt -71.34 -49.4 42.88 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.062 178.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.433 ' HA ' HG21 ' A' ' 32' ' ' THR . . . -53.3 -33.12 51.98 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.291 177.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.423 ' O ' HG22 ' A' ' 34' ' ' VAL . 76.6 t80 -60.66 -62.13 2.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.076 177.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.595 ' CE2' ' HG3' ' A' ' 28' ' ' LYS . 1.1 p90 -58.14 -35.39 71.44 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 121.177 0.513 . . . . 0.0 111.087 -176.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.475 HG21 ' O ' ' A' ' 28' ' ' LYS . 7.5 t -85.82 -21.85 27.9 Favored 'General case' 0 N--CA 1.431 -1.392 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.544 -171.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.544 ' HG2' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -88.02 -35.29 17.65 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.513 0.197 . . . . 0.0 111.328 177.107 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 30' ' ' PHE . 22.1 m -80.7 -6.9 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-O 120.975 0.417 . . . . 0.0 111.389 -178.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.94 13.05 72.85 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.77 177.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.478 ' O ' HG22 ' A' ' 107' ' ' ILE . 16.6 tp -81.67 11.36 4.83 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.367 0.603 . . . . 0.0 109.961 -178.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.13 -19.92 19.7 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.969 169.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.79 8.43 32.83 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.093 -177.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.454 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -56.21 160.96 2.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.344 -0.843 . . . . 0.0 112.55 177.736 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.0 m -97.11 159.76 30.6 Favored Pre-proline 0 C--N 1.318 -0.77 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 170.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.449 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 86.9 Cg_exo -43.66 -47.05 9.9 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.85 2.367 . . . . 0.0 113.647 -178.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.16 -29.68 70.98 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.679 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 68.7 m-20 -69.71 -42.48 73.96 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.1 mm -70.9 -23.14 23.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.856 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.477 ' HB3' ' HZ2' ' A' ' 45' ' ' LYS . 3.9 mmmp? -65.59 -45.99 81.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.073 0.464 . . . . 0.0 110.356 174.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.679 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -70.23 -21.13 63.03 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.515 176.853 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.639 ' O ' HD11 ' A' ' 51' ' ' ILE . 70.7 t -69.61 -34.75 62.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.124 173.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.448 ' HA ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -52.82 -43.65 66.12 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 170.334 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -63.39 -27.04 69.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.935 178.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.474 ' CD1' ' HA ' ' A' ' 47' ' ' VAL . 51.7 mt -71.36 -54.12 18.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.639 HD11 ' O ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -63.11 -37.55 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 C-N-CA 119.702 -0.799 . . . . 0.0 109.358 -178.394 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.606 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 20.0 t0 -83.84 72.57 10.39 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 120.114 -0.635 . . . . 0.0 109.47 178.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.493 ' HA ' HD21 ' A' ' 70' ' ' ASN . 5.8 tp-100 -51.44 -44.25 62.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.992 0.425 . . . . 0.0 111.038 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.604 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 1.8 p-10 -80.59 -18.61 47.72 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.575 -179.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 4.8 tppp? 58.77 67.67 0.9 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.477 0.656 . . . . 0.0 112.473 172.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.2 m -128.49 20.45 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.408 177.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.2 t70 73.28 -3.08 2.55 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.787 0.835 . . . . 0.0 111.304 177.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -120.75 134.34 55.29 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 173.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.573 HG12 ' HB ' ' A' ' 51' ' ' ILE . 6.5 t -123.64 86.38 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.424 -173.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -89.17 -175.87 4.93 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -176.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.54 -37.75 82.23 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.595 -174.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -55.41 -40.93 72.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.945 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.628 ' HB3' ' O ' ' A' ' 51' ' ' ILE . 1.4 mp0 -67.81 -40.7 83.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 177.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.449 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 4.1 mm? -65.69 -18.67 65.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.146 0.498 . . . . 0.0 111.156 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.503 ' O ' HD23 ' A' ' 68' ' ' LEU . 11.1 mptt -70.17 -49.64 48.4 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.514 175.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.499 HD21 ' NE2' ' A' ' 69' ' ' GLN . 33.2 mt -103.24 4.55 36.8 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -175.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.494 ' HB2' ' HA ' ' A' ' 51' ' ' ILE . 0.9 OUTLIER -63.49 -23.62 67.47 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.511 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 2.0 mm? -61.41 -43.24 99.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.752 175.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.499 ' NE2' HD21 ' A' ' 66' ' ' LEU . 78.9 mt-30 -66.99 -17.55 64.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.057 178.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.493 HD21 ' HA ' ' A' ' 53' ' ' GLN . 47.6 t-20 -85.82 -38.7 17.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.88 175.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.457 ' CD2' HG22 ' A' ' 50' ' ' ILE . 1.9 t80 -62.09 -49.38 76.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.249 -174.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.2 p -132.34 -167.92 1.97 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.889 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.9 -43.87 34.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.069 0.462 . . . . 0.0 110.877 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -142.4 97.17 0.2 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.925 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -122.33 160.04 26.19 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.069 0.461 . . . . 0.0 111.115 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.622 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 97.7 mtt180 -89.14 124.55 34.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.05 -176.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.27 129.98 42.6 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.847 178.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.1 mt -86.47 124.55 32.91 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.0 m -128.95 -176.21 3.79 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 64.56 -148.63 0.27 Allowed 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.508 0.505 . . . . 0.0 110.733 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.413 ' O ' HG13 ' A' ' 85' ' ' VAL . . . -66.81 -17.49 64.91 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -174.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.568 ' HG3' ' CD1' ' A' ' 25' ' ' PHE . 6.5 mm-40 -61.56 -51.55 68.12 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -177.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.491 ' O ' ' HB2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -60.79 -38.34 85.01 Favored 'General case' 0 C--O 1.208 -1.079 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.979 178.611 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.446 ' HZ3' ' HB2' ' A' ' 84' ' ' LYS . 1.6 ttmp? -62.21 -56.53 17.79 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -178.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 81' ' ' ALA . 8.4 p -69.5 -34.01 59.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.877 0.37 . . . . 0.0 111.213 -176.023 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -76.29 -31.64 58.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.896 0.379 . . . . 0.0 110.496 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.553 HD11 HG12 ' A' ' 98' ' ' ILE . 19.5 tp -69.57 -44.59 70.54 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 175.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.513 ' HA ' ' HB3' ' A' ' 91' ' ' ASP . 25.1 mmtm -69.78 -17.82 63.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.721 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.76 -27.2 66.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.032 0.444 . . . . 0.0 110.121 173.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.469 ' N ' ' HE2' ' A' ' 106' ' ' MET . . . -111.57 2.35 27.73 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 177.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.513 ' HB3' ' HA ' ' A' ' 88' ' ' LYS . 26.2 t0 -104.17 79.09 1.57 Allowed 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 171.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.1 m -91.63 -25.85 18.96 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.118 0.485 . . . . 0.0 110.373 -172.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.623 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 11.2 p-10 -89.59 -3.14 58.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.325 176.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 70.34 44.7 58.36 Favored Glycine 0 C--N 1.331 0.256 0 CA-C-N 115.439 -0.801 . . . . 0.0 113.375 172.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -109.98 12.34 23.74 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.985 0.392 . . . . 0.0 111.244 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.79 29.18 39.66 Favored Glycine 0 C--N 1.334 0.421 0 N-CA-C 114.549 0.579 . . . . 0.0 114.549 166.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.544 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 8.7 ptpp? -160.07 178.55 9.57 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 117.225 0.512 . . . . 0.0 110.428 -176.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.553 HG12 HD11 ' A' ' 87' ' ' LEU . 23.5 mm -92.52 114.74 29.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.286 172.119 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -72.82 138.15 25.37 Favored Glycine 0 N--CA 1.437 -1.288 0 N-CA-C 108.859 -1.696 . . . . 0.0 108.859 167.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.9 m -58.45 -49.01 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.976 0 CA-C-N 117.471 0.636 . . . . 0.0 111.918 -174.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -80.07 -25.23 40.15 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.461 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -64.07 -33.69 76.34 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.852 173.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.551 ' CD1' ' HE1' ' A' ' 106' ' ' MET . 52.0 t80 -67.82 -49.82 60.14 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.996 178.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -54.75 -39.83 69.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.387 -0.911 . . . . 0.0 111.489 175.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.01 -26.85 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.551 ' HE1' ' CD1' ' A' ' 103' ' ' PHE . 4.7 ptp -78.0 -28.39 49.23 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.305 0.574 . . . . 0.0 109.836 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.483 HD11 ' CE2' ' A' ' 103' ' ' PHE . 72.2 mt -77.65 -39.6 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.34 -178.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -80.37 -29.41 37.87 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 114.661 -1.154 . . . . 0.0 110.267 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.207 0 CA-C-O 118.578 -0.725 . . . . 0.0 111.886 177.898 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . 0.622 'CA ' ' OE2' ' A' ' 63' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . 0.623 'CA ' ' OD1' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.4 tpp . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 120.671 0.272 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.12 8.42 10.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.872 0.368 . . . . 0.0 111.493 -178.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -123.32 160.98 25.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.916 0.389 . . . . 0.0 110.774 -179.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.02 38.72 0.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.537 -173.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 75.0 -13.24 5.68 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.096 -0.574 . . . . 0.0 113.303 177.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.565 HG22 ' OD2' ' A' ' 43' ' ' ASP . 5.5 mm -53.49 -45.15 58.03 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.106 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 175.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.415 ' C ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -138.08 152.87 49.2 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 170.197 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -99.33 131.76 45.12 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.827 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -56.15 -28.7 59.03 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.456 174.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.87 -47.03 41.09 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.902 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.529 ' OD2' ' HA ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -72.51 -43.77 63.13 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.151 0.501 . . . . 0.0 110.635 -172.875 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.73 -45.43 97.71 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.841 174.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.8 m -63.39 -30.59 71.7 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.286 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.65 -52.91 63.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.97 0.414 . . . . 0.0 110.315 177.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.6 -36.85 84.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.452 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.44 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 83.9 mt -74.91 -28.64 60.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.763 0.316 . . . . 0.0 111.44 -178.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.72 -18.59 60.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.167 0.508 . . . . 0.0 110.073 175.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.22 -37.0 66.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.914 175.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.44 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 26.5 p -88.96 18.85 4.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.139 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -71.4 -17.56 62.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.644 0.735 . . . . 0.0 109.196 173.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 24' ' ' SER . . . -104.59 145.52 30.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.281 172.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -72.32 137.77 46.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.685 0.279 . . . . 0.0 110.365 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.5 16.34 76.05 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.917 -0.658 . . . . 0.0 111.503 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 56.5 m -119.04 7.59 11.42 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -173.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -85.88 95.85 9.59 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 119.919 -0.713 . . . . 0.0 109.9 172.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.411 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 20.3 m-20 -86.37 98.14 10.82 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 171.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 -45.89 -34.42 3.85 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.583 0.706 . . . . 0.0 111.286 176.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.564 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . 62.5 tttm -73.51 -49.95 24.0 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.262 -178.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.444 ' HA ' HG21 ' A' ' 32' ' ' THR . . . -57.64 -35.09 70.04 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.181 177.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.418 ' O ' HG22 ' A' ' 34' ' ' VAL . 77.9 t80 -59.6 -58.9 6.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.806 178.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -62.56 -34.38 76.83 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.474 0.654 . . . . 0.0 111.131 -174.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.444 HG21 ' HA ' ' A' ' 29' ' ' ALA . 2.4 t -86.54 -19.42 29.49 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.233 -172.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 36.8 ttmt -86.63 -49.12 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.689 178.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.529 ' HA ' ' OD2' ' A' ' 11' ' ' ASP . 16.2 m -74.19 -23.51 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-O 120.87 0.367 . . . . 0.0 111.344 -177.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' A' ' 39' ' ' LYS . . . 105.08 14.72 21.95 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.676 -0.773 . . . . 0.0 113.43 175.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.599 ' HA ' ' CG ' ' A' ' 39' ' ' LYS . 14.2 mt -66.43 -25.88 66.96 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -178.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.526 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . . . -64.0 -23.73 67.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.921 0.391 . . . . 0.0 110.603 177.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -107.67 -5.45 17.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.01 177.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.599 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 46.0 mmtt -63.9 145.55 55.63 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.489 0.661 . . . . 0.0 112.125 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.2 t -74.71 148.6 85.32 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.732 177.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.412 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 53.2 Cg_exo -53.61 -21.63 19.82 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.125 2.55 . . . . 0.0 112.832 176.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.04 -40.78 62.62 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.151 0.501 . . . . 0.0 110.727 177.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.777 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 6.9 t70 -70.96 -45.71 63.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.488 177.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.0 mt -60.55 -22.21 25.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.136 0.493 . . . . 0.0 110.525 174.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.509 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 40.9 tptt -74.42 -37.73 63.26 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 120.779 0.323 . . . . 0.0 110.647 177.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.777 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -73.28 -25.39 60.65 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.191 174.302 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.569 ' O ' HD12 ' A' ' 51' ' ' ILE . 61.5 t -67.78 -32.3 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.889 172.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.509 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -53.7 -47.98 69.99 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 170.183 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.75 -23.84 63.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.514 177.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.543 ' HA ' ' ND2' ' A' ' 70' ' ' ASN . 35.1 mt -76.18 -56.24 8.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 118.906 -0.569 . . . . 0.0 112.352 178.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.628 ' HB ' ' CG1' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -61.4 -34.64 62.07 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.655 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 9.7 t0 -83.14 74.38 10.0 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 174.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -53.07 -43.93 67.09 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.563 0.697 . . . . 0.0 110.411 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -84.41 -9.2 58.62 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.532 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.59 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 21.9 pttp 37.02 63.69 0.67 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.153 0.981 . . . . 0.0 113.61 177.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.7 p -125.54 33.01 5.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.269 176.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 78.46 -2.26 2.39 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 115.029 -0.987 . . . . 0.0 112.018 175.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -130.33 132.65 45.95 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.638 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 99.8 t -115.52 89.94 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.104 -174.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -93.13 169.21 10.58 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -174.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.55 -45.92 80.96 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -176.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -57.34 -24.79 57.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.971 -177.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -77.25 -45.38 26.6 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.696 175.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.556 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 1.0 OUTLIER -62.37 -16.02 52.16 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.578 -179.503 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.414 ' O ' HD23 ' A' ' 68' ' ' LEU . 23.6 mmtp -61.39 -56.11 23.93 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 120.501 -0.479 . . . . 0.0 111.004 172.409 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -102.35 4.54 39.11 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.556 ' HD1' ' O ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -60.08 -24.15 64.37 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.112 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 2.3 mm? -63.6 -43.0 98.19 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.512 175.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -72.95 -11.31 60.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.713 0.768 . . . . 0.0 109.635 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.543 ' ND2' ' HA ' ' A' ' 50' ' ' ILE . 63.4 t30 -91.0 -17.8 25.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.432 173.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.487 ' CD2' HG23 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -86.54 -43.98 12.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.469 178.534 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.5 p -153.59 174.89 13.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.935 -178.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.51 -44.56 11.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.889 0.376 . . . . 0.0 111.258 -178.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -93.14 54.56 2.51 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.135 -177.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.499 ' HB1' ' HB3' ' A' ' 68' ' ' LEU . . . -106.38 166.36 10.59 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.954 0.407 . . . . 0.0 111.615 -175.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.534 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 29.7 mmm180 -114.94 140.07 49.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.161 -178.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.33 121.55 23.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.822 0.344 . . . . 0.0 110.638 179.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.8 mp -68.95 113.85 6.72 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.024 176.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.5 t -118.68 143.53 46.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.793 0.33 . . . . 0.0 110.698 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 65.82 -112.05 0.22 Allowed 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.825 173.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.25 -33.58 73.47 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.554 -171.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.89 -47.74 82.0 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.469 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -62.44 -55.56 26.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.463 179.011 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -55.93 -55.48 32.13 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -175.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.6 t -70.18 -36.45 67.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.539 -173.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -70.09 -34.97 73.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.282 176.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 83' ' ' THR . 81.7 mt -64.21 -52.04 60.77 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 173.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -63.3 -16.39 60.18 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -176.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.18 -28.68 66.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.092 0.473 . . . . 0.0 110.485 172.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -119.89 -41.09 0.57 Allowed Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.926 177.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -58.99 102.53 0.12 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.376 0.607 . . . . 0.0 110.553 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.6 m -98.3 -5.88 32.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.899 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.658 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 1.9 m-20 -92.34 -25.72 18.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.308 -176.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.12 24.95 56.56 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.26 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.605 ' OD2' ' HG2' ' A' ' 97' ' ' LYS . 17.4 p-10 -104.94 -4.03 22.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.722 0.296 . . . . 0.0 111.307 -174.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.47 28.32 48.38 Favored Glycine 0 CA--C 1.517 0.195 0 C-N-CA 120.705 -0.759 . . . . 0.0 113.767 172.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.638 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 5.4 ptpp? -130.01 169.67 14.96 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.142 0.496 . . . . 0.0 109.905 176.115 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.596 ' O ' ' HB ' ' A' ' 59' ' ' VAL . 24.8 mm -116.1 104.94 17.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.005 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.702 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -68.12 138.27 32.6 Favored Glycine 0 N--CA 1.432 -1.576 0 N-CA-C 108.148 -1.981 . . . . 0.0 108.148 163.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.435 HG21 ' CD1' ' A' ' 48' ' ' PHE . 82.3 t -60.16 -37.62 73.97 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 CA-C-N 117.602 0.701 . . . . 0.0 110.938 -176.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.52 -38.87 88.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.178 173.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.91 -36.42 84.32 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.169 175.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.507 ' O ' ' HG2' ' A' ' 106' ' ' MET . 35.2 t80 -69.43 -46.98 65.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.46 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.4 -34.78 76.38 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.786 177.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.4 -36.74 79.55 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 10.8 ptp -72.77 -24.9 61.01 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.047 0.451 . . . . 0.0 110.35 -178.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.445 HD11 ' CE2' ' A' ' 103' ' ' PHE . 81.1 mt -80.59 -32.99 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 122.131 0.967 . . . . 0.0 109.763 177.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -95.74 7.78 45.35 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.492 -1.231 . . . . 0.0 110.288 -176.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.245 177.505 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . 0.655 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . 0.658 'CA ' ' OD2' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.728 0.299 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.06 68.19 7.26 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 175.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 66.82 -74.2 0.07 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.736 -176.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -150.93 5.25 0.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.808 177.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 83.14 -6.77 69.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.661 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.4 mt -62.44 -28.73 45.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 121.747 0.784 . . . . 0.0 109.289 174.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -137.4 149.19 46.75 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.858 176.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.402 ' N ' HD21 ' A' ' 8' ' ' ASN . 0.9 OUTLIER -101.06 114.69 28.86 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 170.36 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -53.77 -34.67 59.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.122 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.49 -36.6 84.73 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.561 177.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.411 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 32.1 m-20 -68.92 -47.73 65.03 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 120.964 0.411 . . . . 0.0 110.99 -178.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.519 ' O ' HD22 ' A' ' 16' ' ' LEU . 1.9 mp -59.3 -53.34 49.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.858 177.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.0 m -54.66 -35.34 63.41 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.501 177.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.68 94.3 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.28 99.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.061 176.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.519 HD22 ' O ' ' A' ' 12' ' ' ILE . 4.6 mm? -62.16 -35.39 78.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.799 176.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.08 -33.11 75.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.897 0.379 . . . . 0.0 111.092 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.83 -10.73 54.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.066 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.523 ' HB3' ' CD1' ' A' ' 25' ' ' PHE . 87.1 m -129.91 29.87 4.91 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.541 -174.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -90.32 2.55 55.4 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.99 0.424 . . . . 0.0 111.307 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.4 133.1 37.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.105 175.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -61.9 126.5 27.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.251 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.58 15.01 79.03 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.049 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.9 m -130.29 17.04 5.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.706 0.289 . . . . 0.0 111.322 -178.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.523 ' CD1' ' HB3' ' A' ' 19' ' ' CYS . 25.4 t80 -76.37 124.68 27.9 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 176.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -109.05 94.8 5.24 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.372 -0.531 . . . . 0.0 109.641 172.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -55.29 -26.05 37.89 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.876 -178.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.536 ' HG3' ' CE2' ' A' ' 31' ' ' PHE . 29.9 ttpp -72.88 -50.94 20.75 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.3 -38.99 59.95 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.93 174.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -54.33 -56.04 22.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.434 178.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.536 ' CE2' ' HG3' ' A' ' 28' ' ' LYS . 1.9 p90 -66.59 -37.54 85.13 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.294 0.568 . . . . 0.0 111.449 -175.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.506 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 8.6 t -86.34 -20.75 27.85 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.941 -169.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -83.68 -37.44 22.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.974 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.446 ' CG2' ' HB2' ' A' ' 36' ' ' LEU . 10.6 m -85.66 -11.6 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.396 -178.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.462 ' O ' ' HE2' ' A' ' 39' ' ' LYS . . . 83.89 28.61 34.16 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.213 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.446 ' HB2' ' CG2' ' A' ' 34' ' ' VAL . 12.6 tp -81.24 -17.02 50.97 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.649 -0.324 . . . . 0.0 110.918 -174.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.529 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . . . -79.9 -7.81 58.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.727 0.299 . . . . 0.0 111.473 -176.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -111.22 30.38 6.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.035 0.445 . . . . 0.0 110.625 177.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.462 ' HE2' ' O ' ' A' ' 35' ' ' GLY . 71.3 mmtt -95.72 134.19 38.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.829 -179.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.9 m -73.51 160.15 83.0 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.902 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_exo -43.7 -46.03 10.58 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.864 2.376 . . . . 0.0 113.202 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.87 -44.93 96.39 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.833 0.349 . . . . 0.0 111.614 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.703 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 5.2 m-20 -64.64 -44.58 90.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.376 0.608 . . . . 0.0 109.439 178.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.4 mm -64.64 -29.52 47.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.235 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 21.6 tptm -65.0 -42.12 94.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.083 0.468 . . . . 0.0 110.508 178.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.703 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -71.79 -25.63 62.09 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.782 -0.767 . . . . 0.0 109.27 177.021 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.737 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 96.2 t -68.44 -31.38 51.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.839 173.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.419 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -54.16 -45.33 72.01 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 169.543 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.31 -24.89 65.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.719 177.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.737 ' HB ' ' O ' ' A' ' 47' ' ' VAL . 0.3 OUTLIER -63.92 -54.6 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.686 174.459 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.682 ' HB ' ' CG1' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -70.56 -28.7 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.694 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.644 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 30.1 t0 -81.44 65.99 6.8 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 174.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.06 -31.59 71.35 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.459 0.647 . . . . 0.0 110.509 -172.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -85.49 -11.28 54.63 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.214 177.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt 57.16 64.93 1.49 Allowed 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 167.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.0 m -138.75 25.96 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.026 -178.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 72.79 -2.66 2.61 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.284 0.633 . . . . 0.0 112.102 176.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -131.67 135.85 47.23 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 175.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.682 ' CG1' ' HB ' ' A' ' 51' ' ' ILE . 87.4 t -111.19 92.67 2.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.387 -171.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.495 ' O ' ' HB3' ' A' ' 63' ' ' GLU . 42.6 mt-10 -93.0 164.92 13.1 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -172.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -57.96 -53.75 54.71 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.58 -19.34 62.07 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.133 0.492 . . . . 0.0 110.511 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.597 ' OE1' ' HA ' ' A' ' 59' ' ' VAL . 32.8 tt0 -81.51 -43.14 19.21 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.507 176.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.565 ' O ' ' HD2' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -59.88 -20.0 54.6 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.277 175.647 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' O ' HD23 ' A' ' 68' ' ' LEU . 8.6 mptt -53.56 -45.62 69.94 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.279 178.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.492 HD13 HE21 ' A' ' 69' ' ' GLN . 1.3 mm? -102.59 4.37 38.31 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.565 ' HD2' ' O ' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -61.7 -24.56 66.85 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.678 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 2.1 mm? -61.95 -51.11 69.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.051 177.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.492 HE21 HD13 ' A' ' 66' ' ' LEU . 35.5 mt-30 -68.11 -14.96 63.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.009 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -83.03 -38.79 22.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.402 176.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.42 ' CD2' HG22 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -67.57 -46.65 72.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.861 178.142 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.1 m -154.9 145.24 22.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.766 178.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.36 -13.91 62.35 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -174.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -111.42 29.35 8.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.342 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.43 139.63 35.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.848 0.356 . . . . 0.0 110.809 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.561 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 25.9 mmm180 -84.59 136.86 33.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.832 -176.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.64 118.65 11.2 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.99 0.424 . . . . 0.0 111.023 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 73.3 mt -69.54 130.42 42.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.496 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.437 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 14.4 m -129.38 155.83 45.03 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.984 -178.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 53.68 -112.0 0.66 Allowed 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 176.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.563 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -71.52 -34.14 69.82 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.749 -168.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 79' ' ' SER . 1.1 mm-40 -59.16 -53.26 60.34 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 -177.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.619 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 2.2 m -60.13 -44.13 95.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.106 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -55.91 -61.74 2.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.868 -177.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.563 HG12 ' O ' ' A' ' 81' ' ' ALA . 7.1 p -69.84 -29.82 42.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.917 0.389 . . . . 0.0 110.902 -175.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -64.67 -43.41 93.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.915 176.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 83' ' ' THR . 98.1 mt -65.19 -40.02 93.67 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.197 176.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -63.26 -25.43 68.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.112 -176.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.98 -28.46 69.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.102 0.477 . . . . 0.0 110.508 176.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -111.27 -66.83 0.53 Allowed Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.441 -178.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.609 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 30.8 t70 -63.19 110.66 1.93 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.272 0.558 . . . . 0.0 110.632 -177.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.5 m -98.3 -4.45 35.05 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.21 -175.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.632 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 0.3 OUTLIER -91.77 -25.77 18.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.96 -173.79 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.43 40.68 12.65 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 -169.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.471 ' HB2' ' HB2' ' A' ' 93' ' ' ASP . 11.5 t0 -98.12 -0.59 44.1 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.43 -0.885 . . . . 0.0 111.248 -168.103 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.64 29.65 69.41 Favored Glycine 0 C--N 1.336 0.555 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.763 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.644 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 4.4 ptpp? -157.56 178.67 10.02 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 121.022 0.439 . . . . 0.0 110.329 -172.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.497 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 14.3 mm -114.57 109.29 27.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.301 169.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.76 137.13 46.54 Favored Glycine 0 N--CA 1.433 -1.538 0 N-CA-C 108.803 -1.719 . . . . 0.0 108.803 167.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.0 m -58.41 -39.91 76.37 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-O 121.287 0.565 . . . . 0.0 112.153 -174.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -80.96 -20.27 42.32 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.659 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.509 ' CD ' ' HA ' ' A' ' 91' ' ' ASP . 35.8 mt-10 -71.39 -33.57 69.61 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.789 173.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.562 ' CE2' HD11 ' A' ' 107' ' ' ILE . 26.6 t80 -69.6 -50.64 42.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.174 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.82 -34.72 65.58 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.566 176.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.88 -42.63 90.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.681 -0.259 . . . . 0.0 111.445 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.519 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 9.7 ptp -67.58 -27.35 66.85 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.082 0.468 . . . . 0.0 110.763 -178.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.562 HD11 ' CE2' ' A' ' 103' ' ' PHE . 99.3 mt -79.16 -34.15 16.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.784 0.802 . . . . 0.0 110.285 -177.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.9 tmmm? -87.28 -9.87 53.85 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.455 -176.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.659 -0.686 . . . . 0.0 110.969 179.128 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . 0.644 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . 0.632 'CA ' ' OD2' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.0 mtp . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 120.683 0.278 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.88 131.01 49.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.005 177.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -158.2 -177.5 6.6 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -176.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.44 163.68 2.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.049 0.452 . . . . 0.0 111.199 177.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -78.19 30.17 1.87 Allowed Glycine 0 N--CA 1.453 -0.181 0 CA-C-N 116.041 -0.527 . . . . 0.0 113.158 -176.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.497 HG21 ' OD2' ' A' ' 43' ' ' ASP . 35.5 mm -70.05 -29.88 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 171.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.46 ' HG ' ' CE1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -146.43 140.18 26.1 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.672 176.496 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.26 116.18 32.21 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 172.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -51.12 -37.62 47.12 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.898 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.35 -49.68 74.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.523 179.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -64.25 -48.53 75.41 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.22 0.534 . . . . 0.0 111.104 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.63 -48.54 85.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.395 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.4 m -60.56 -37.47 81.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.331 178.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.18 -55.48 34.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.76 -177.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.447 ' HB3' ' CD ' ' A' ' 33' ' ' LYS . . . -64.94 -36.34 84.09 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.49 -41.49 93.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 111.135 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.83 -21.54 57.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.024 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.63 -29.31 66.77 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.508 0.671 . . . . 0.0 109.898 177.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.528 ' HB3' ' HA ' ' A' ' 25' ' ' PHE . 20.2 m -104.72 50.95 0.78 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.731 -176.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -77.04 54.91 1.08 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 121.119 0.485 . . . . 0.0 111.129 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.12 136.18 15.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.388 -178.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -63.0 135.33 57.23 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.26 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.81 0.18 24.51 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.807 -0.633 . . . . 0.0 113.379 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.9 m -119.49 46.53 1.89 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.062 0.458 . . . . 0.0 111.102 -175.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.528 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 28.2 m-85 -95.98 113.69 25.33 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.343 176.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -74.61 85.67 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.496 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -60.0 -29.53 68.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.626 0.727 . . . . 0.0 110.016 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.537 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . 42.7 tttp -74.47 -52.67 11.34 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.918 -177.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.498 ' O ' ' HB3' ' A' ' 33' ' ' LYS . . . -55.11 -34.8 63.99 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.637 177.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -62.28 -57.11 12.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.075 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.537 ' CE2' ' HA ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -60.56 -36.08 77.6 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.58 0.705 . . . . 0.0 110.875 -175.83 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.442 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 5.4 t -86.31 -21.25 27.4 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.561 -170.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.534 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -87.03 -31.22 20.66 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 121.277 -0.169 . . . . 0.0 111.112 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.534 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 15.7 m -91.51 -8.29 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -176.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.28 27.82 32.23 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.087 -178.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.418 ' HB2' ' CG2' ' A' ' 34' ' ' VAL . 14.9 tp -83.28 -16.92 44.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.927 0.394 . . . . 0.0 110.933 -175.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.468 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . . . -81.97 -5.23 58.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.076 0.465 . . . . 0.0 111.096 -178.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.76 38.01 3.44 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.165 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.476 ' HD2' ' CG ' ' A' ' 43' ' ' ASP . 62.3 mmtt -97.18 141.6 30.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.583 0.706 . . . . 0.0 112.357 -175.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 m -81.74 157.2 69.78 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.699 175.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_exo -44.99 -46.84 12.68 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.136 2.557 . . . . 0.0 113.862 -177.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.21 -29.75 70.84 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.875 0.369 . . . . 0.0 111.767 -177.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.682 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 11.1 t0 -75.9 -47.67 24.42 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.8 mm -62.73 -22.88 31.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.261 175.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.612 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 22.0 tptm -68.71 -42.33 77.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.986 0.422 . . . . 0.0 110.632 175.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.682 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -71.34 -26.49 62.85 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.397 -0.921 . . . . 0.0 109.147 175.275 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.707 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 86.8 t -65.54 -34.2 68.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.99 172.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.612 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -50.53 -47.4 57.59 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 169.091 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -62.07 -23.07 66.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.261 178.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.707 ' HB ' ' O ' ' A' ' 47' ' ' VAL . 0.3 OUTLIER -65.26 -59.3 4.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 176.764 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.632 ' HB ' HG12 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -71.53 -31.45 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 -178.205 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.648 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 10.9 t0 -82.06 74.86 9.02 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 177.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.63 ' OE1' ' HB2' ' A' ' 70' ' ' ASN . 50.2 tp60 -50.0 -47.03 53.18 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.924 0.869 . . . . 0.0 110.75 178.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.482 ' HB3' ' OE2' ' A' ' 63' ' ' GLU . 17.7 t70 -84.9 -8.71 58.66 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.965 -179.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.595 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 12.5 ptmm? 41.17 65.7 0.78 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 173.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.7 m -124.12 30.18 6.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.403 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 69.41 8.91 7.04 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.216 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -143.91 127.08 16.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.433 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.632 HG12 ' HB ' ' A' ' 51' ' ' ILE . 57.6 t -112.22 100.73 11.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.611 -172.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -93.48 174.11 7.36 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.61 0.226 . . . . 0.0 111.61 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -64.06 -36.83 85.28 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.612 0.244 . . . . 0.0 111.135 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -50.95 -30.21 14.28 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.429 0.633 . . . . 0.0 110.397 176.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.541 ' O ' ' HB3' ' A' ' 67' ' ' PHE . 44.0 mt-10 -86.2 -40.52 15.52 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.017 -177.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.556 ' HG ' ' CD2' ' A' ' 87' ' ' LEU . 4.5 mm? -58.33 -18.19 25.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.883 0.373 . . . . 0.0 111.074 176.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.475 ' O ' HD21 ' A' ' 68' ' ' LEU . 23.0 mmtp -67.15 -58.78 4.23 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.833 177.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -102.29 4.66 39.39 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -176.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.541 ' HB3' ' O ' ' A' ' 63' ' ' GLU . 0.8 OUTLIER -57.68 -24.95 59.37 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.261 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.692 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 2.8 mm? -59.57 -55.88 28.98 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.31 176.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -60.97 -21.47 63.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.103 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.63 ' HB2' ' OE1' ' A' ' 53' ' ' GLN . 35.9 t30 -74.76 -38.97 62.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.18 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.577 ' CD1' HG13 ' A' ' 50' ' ' ILE . 5.1 t80 -84.72 -42.02 15.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.279 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.9 m -152.57 135.65 15.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.17 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.44 -22.31 62.72 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -172.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -100.57 26.3 25.09 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.3 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.498 ' CB ' ' HB3' ' A' ' 68' ' ' LEU . . . -91.88 154.5 18.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.897 0.379 . . . . 0.0 110.928 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.692 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 29.2 mmm180 -95.38 127.14 41.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.725 -175.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.55 131.2 47.32 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.026 0.441 . . . . 0.0 110.508 178.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.435 ' HG ' HD23 ' A' ' 68' ' ' LEU . 59.3 mt -82.15 117.95 22.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.851 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.7 p -123.75 130.49 52.72 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -175.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.23 -92.88 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.649 175.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.04 -45.29 27.68 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -169.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.8 pm0 -69.34 -31.31 69.67 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.946 -178.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -42.73 85.57 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 173.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -60.4 -54.1 49.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.106 -177.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 48.8 t -66.95 -43.74 89.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.866 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -61.02 -41.38 96.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.011 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.556 ' CD2' ' HG ' ' A' ' 64' ' ' LEU . 65.2 mt -62.46 -54.06 45.69 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 176.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -63.46 -17.42 62.7 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -176.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.27 -34.56 72.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.001 0.429 . . . . 0.0 110.109 175.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.452 ' N ' ' HE1' ' A' ' 106' ' ' MET . . . -114.74 -48.84 0.53 Allowed Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.808 179.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.635 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 27.2 t70 -60.95 102.11 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 178.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.8 p -96.51 -21.56 17.63 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.89 0.376 . . . . 0.0 110.637 -174.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -84.06 -6.59 59.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.361 0.601 . . . . 0.0 110.774 -179.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 67.34 48.55 57.58 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.263 -0.881 . . . . 0.0 113.54 171.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.637 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 2.5 p-10 -109.16 -9.07 15.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.817 0.341 . . . . 0.0 110.472 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.97 28.81 17.04 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.215 176.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.59 ' HB3' ' OD2' ' A' ' 95' ' ' ASP . 0.0 OUTLIER -138.68 146.94 42.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.154 0.502 . . . . 0.0 110.235 -175.484 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.526 ' O ' ' HB ' ' A' ' 59' ' ' VAL . 26.2 mm -93.02 98.48 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.279 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.83 175.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.46 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -63.66 139.84 43.76 Favored Glycine 0 N--CA 1.435 -1.41 0 N-CA-C 108.118 -1.993 . . . . 0.0 108.118 165.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.461 HG21 ' CD1' ' A' ' 48' ' ' PHE . 92.4 t -63.23 -40.17 88.03 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.286 0 CA-C-N 117.719 0.759 . . . . 0.0 110.84 -175.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -68.31 -33.25 73.98 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.155 173.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 99' ' ' GLY . 11.3 mm-40 -61.13 -44.03 97.96 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.354 0.597 . . . . 0.0 109.658 173.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.475 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . 26.0 t80 -64.78 -44.52 89.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.354 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.38 -31.86 63.36 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.187 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.39 -41.63 80.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.878 -0.161 . . . . 0.0 110.996 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.452 ' HE1' ' N ' ' A' ' 90' ' ' GLY . 5.6 ptp -71.64 -19.3 62.12 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.939 0.4 . . . . 0.0 110.578 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.474 HD13 ' CE2' ' A' ' 103' ' ' PHE . 83.7 mt -82.32 -33.51 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.724 0.773 . . . . 0.0 109.926 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.9 tmmm? -90.37 -21.69 21.85 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.646 -176.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.73 -0.652 . . . . 0.0 110.718 179.539 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . 0.648 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . 0.637 'CA ' ' OD1' ' A' ' 95' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.5 mmm . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.68 0.276 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.31 124.63 3.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.848 0.356 . . . . 0.0 110.403 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.96 -42.2 60.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.993 178.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 49.37 -131.24 1.85 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.687 175.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.63 5.76 51.67 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.468 173.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.462 HG22 ' OD2' ' A' ' 43' ' ' ASP . 34.9 mm -62.03 -32.29 53.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-O 121.51 0.671 . . . . 0.0 109.234 175.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.465 HD13 ' O ' ' A' ' 7' ' ' LEU . 3.7 pp -145.48 150.57 36.71 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.875 169.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -100.27 107.82 19.73 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 172.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -47.32 -37.84 11.66 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.936 -176.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.85 -49.25 73.51 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.363 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.12 -38.61 72.3 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 120.902 0.382 . . . . 0.0 111.443 -177.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 7' ' ' LEU . 1.7 mp -62.48 -46.15 97.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.868 176.169 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 54.3 m -64.4 -37.54 87.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.185 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.73 -46.67 88.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.724 0.297 . . . . 0.0 111.095 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.65 -40.34 80.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.046 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.1 mt -65.86 -41.09 92.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.217 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.67 -24.98 58.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.936 0.398 . . . . 0.0 111.122 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.34 -15.47 61.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.079 0.466 . . . . 0.0 110.309 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 55.4 m -115.91 18.86 15.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.27 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 76' ' ' ARG . 40.6 ttmt -64.02 -34.36 77.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.118 -174.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.97 132.72 34.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.543 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.58 114.65 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.327 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.49 -15.5 29.69 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.464 -175.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.6 t -96.98 19.75 12.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.203 0.525 . . . . 0.0 110.065 178.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -81.0 129.69 34.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.479 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -123.91 90.53 3.29 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.542 175.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.411 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 36.4 t60 -46.53 -54.9 8.43 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.317 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.572 ' O ' HG21 ' A' ' 32' ' ' THR . 87.7 tttt -72.17 -46.32 56.84 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.438 -173.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.13 -33.74 69.48 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.488 177.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.614 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 90.1 t80 -55.7 -60.37 3.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.616 176.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.429 ' CE1' HG12 ' A' ' 107' ' ' ILE . 81.3 m-85 -67.23 -36.65 82.11 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -174.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.572 HG21 ' O ' ' A' ' 28' ' ' LYS . 10.2 t -76.34 -32.02 58.44 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.615 -178.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.452 ' HZ3' ' HB2' ' A' ' 33' ' ' LYS . 4.2 ttmp? -80.86 -35.17 33.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.204 0.526 . . . . 0.0 110.174 178.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.614 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -74.92 -23.04 17.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.742 -178.288 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.92 26.72 30.86 Favored Glycine 0 C--N 1.333 0.37 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.439 177.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.515 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 11.7 tp -92.57 -12.71 31.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.854 0.359 . . . . 0.0 111.249 -175.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.04 -24.68 59.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.879 0.371 . . . . 0.0 111.667 -175.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.05 32.28 4.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.072 0.463 . . . . 0.0 111.164 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HG3' HD13 ' A' ' 36' ' ' LEU . 69.8 mmtt -88.54 140.21 29.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.198 0.523 . . . . 0.0 111.96 -178.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.1 m -80.69 158.57 70.72 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.105 177.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -43.51 -45.27 10.56 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.356 2.704 . . . . 0.0 114.052 -177.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.14 84.64 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.528 ' O ' HG21 ' A' ' 47' ' ' VAL . 12.1 t0 -72.53 -47.35 49.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -178.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.5 mm -62.95 -22.69 31.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.056 0.455 . . . . 0.0 110.868 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 45' ' ' LYS . 21.3 tptm -69.06 -48.19 63.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.885 0.374 . . . . 0.0 110.405 176.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.581 ' O ' HD12 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -67.09 -25.48 66.24 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.425 -0.91 . . . . 0.0 109.165 175.62 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.652 ' O ' HD12 ' A' ' 51' ' ' ILE . 71.2 t -65.6 -35.04 74.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.449 173.336 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.509 ' HB2' ' CG1' ' A' ' 100' ' ' VAL . 0.0 OUTLIER -52.57 -42.19 64.25 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.241 0.544 . . . . 0.0 109.54 170.412 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -72.67 -16.73 61.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.228 178.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.642 ' HB ' ' O ' ' A' ' 47' ' ' VAL . 0.2 OUTLIER -66.74 -50.69 63.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.832 -0.167 . . . . 0.0 111.336 175.305 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.705 ' HB ' ' CG1' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -73.15 -27.91 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.671 179.14 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.623 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 20.7 t0 -87.55 66.89 9.17 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 174.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -58.89 -33.15 70.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.095 0.474 . . . . 0.0 111.285 -175.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -78.46 -19.67 52.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.083 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt 56.83 63.29 1.98 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.417 0.627 . . . . 0.0 110.526 -173.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 55.7 p -124.78 5.2 8.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.361 -173.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 56' ' ' SER . 24.6 m-20 76.06 -0.73 3.08 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.315 0.646 . . . . 0.0 111.259 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -129.76 130.43 45.38 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 172.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.802 ' HA ' ' OE1' ' A' ' 63' ' ' GLU . 79.7 t -111.74 91.82 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.373 -173.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.47 ' O ' ' HB3' ' A' ' 63' ' ' GLU . 46.4 mt-10 -93.6 166.14 12.39 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -177.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -62.55 -40.58 97.28 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 111.3 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.04 -22.01 60.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.28 0.562 . . . . 0.0 110.695 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.802 ' OE1' ' HA ' ' A' ' 59' ' ' VAL . 38.1 tt0 -88.48 -39.35 14.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.192 177.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.562 ' O ' ' HD2' ' A' ' 67' ' ' PHE . 0.5 OUTLIER -61.09 -18.95 60.68 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-O 121.152 0.501 . . . . 0.0 110.85 175.148 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.435 ' HE3' ' OG ' ' A' ' 79' ' ' SER . 12.7 mptt -56.58 -48.36 77.55 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.97 174.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -103.0 4.93 37.9 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -177.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.568 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 0.3 OUTLIER -62.44 -24.63 67.54 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.486 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.536 ' H ' HD23 ' A' ' 68' ' ' LEU . 1.7 mm? -63.35 -46.7 85.37 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.675 177.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -66.01 -18.45 65.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.109 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -83.45 -41.39 18.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.009 178.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -72.39 -34.27 67.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.992 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.0 m -153.98 125.29 7.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.308 174.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.47 -32.08 68.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.808 -170.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -103.7 26.27 23.94 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.348 -0.929 . . . . 0.0 112.926 -178.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.46 156.77 21.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.066 0.46 . . . . 0.0 111.102 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -90.58 140.41 29.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.251 -179.023 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.03 139.24 41.36 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.055 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.528 ' HG ' HD21 ' A' ' 68' ' ' LEU . 12.8 mt -95.76 113.43 25.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.903 -179.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.435 ' OG ' ' HE3' ' A' ' 65' ' ' LYS . 50.6 m -145.56 86.82 1.76 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.265 0.555 . . . . 0.0 111.244 177.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -178.47 -154.24 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.82 -16.27 62.88 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 120.964 0.412 . . . . 0.0 110.42 177.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -73.63 -41.9 62.16 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.147 -173.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.84 -46.29 85.7 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.897 176.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -58.76 -56.78 17.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.689 -175.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 77.8 t -63.61 -46.13 95.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.015 0.436 . . . . 0.0 111.319 -177.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -64.88 -35.01 79.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.949 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.8 tp -70.05 -45.57 66.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.092 176.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.562 ' NZ ' ' HA2' ' A' ' 94' ' ' GLY . 73.4 mmtt -64.8 -17.11 63.92 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.916 -178.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.71 -26.35 63.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.22 0.533 . . . . 0.0 110.081 173.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -113.11 -51.1 0.52 Allowed Glycine 0 N--CA 1.443 -0.835 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.387 175.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -60.28 93.35 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.126 0.489 . . . . 0.0 110.468 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.7 m -99.94 -7.08 25.63 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.258 0.551 . . . . 0.0 110.296 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.65 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 1.4 m-20 -86.85 -24.21 25.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.973 -176.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.562 ' HA2' ' NZ ' ' A' ' 88' ' ' LYS . . . 79.92 20.27 68.33 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.951 -178.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -100.43 -6.49 25.54 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -175.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 91.78 30.93 9.79 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 120.138 -1.029 . . . . 0.0 113.254 170.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 20.2 ptmt -147.08 169.33 19.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.552 0.691 . . . . 0.0 111.08 -174.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.535 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 31.7 mm -118.97 107.34 21.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.282 178.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -65.51 141.11 41.98 Favored Glycine 0 N--CA 1.434 -1.436 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 164.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.509 ' CG1' ' HB2' ' A' ' 48' ' ' PHE . 83.4 t -59.49 -40.2 81.23 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 CA-C-N 117.591 0.696 . . . . 0.0 111.136 -175.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -64.06 -30.5 71.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.654 174.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -68.49 -37.29 79.98 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.156 0.503 . . . . 0.0 109.688 175.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.598 ' O ' HG13 ' A' ' 107' ' ' ILE . 26.8 t80 -71.5 -47.32 56.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.249 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.78 -39.8 78.22 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.613 177.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.16 -34.43 78.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.73 -0.235 . . . . 0.0 111.163 177.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.42 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 4.9 ptp -80.38 -18.69 48.23 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-O 120.913 0.387 . . . . 0.0 110.655 -178.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.598 HG13 ' O ' ' A' ' 103' ' ' PHE . 78.5 mt -75.58 -32.02 24.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.897 0.856 . . . . 0.0 108.871 176.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -87.78 -30.65 20.1 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.404 -1.271 . . . . 0.0 110.915 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.347 -0.835 . . . . 0.0 110.515 178.495 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . 0.623 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . 0.65 'CA ' ' OD1' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ptp . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 111.39 0.144 . . . . 0.0 111.39 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.91 134.17 19.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.834 0.35 . . . . 0.0 110.565 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -99.74 -178.05 3.75 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.195 179.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.406 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -84.84 33.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -174.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.58 -15.58 3.58 Favored Glycine 0 CA--C 1.517 0.206 0 C-N-CA 121.4 -0.429 . . . . 0.0 113.363 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.406 ' H ' ' C ' ' A' ' 4' ' ' ALA . 49.9 mt -53.82 -42.76 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.545 0.688 . . . . 0.0 109.894 174.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.16 136.86 26.99 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.147 -0.933 . . . . 0.0 108.989 174.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -98.73 130.94 45.22 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -48.02 -49.33 31.45 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.696 0.76 . . . . 0.0 109.621 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.58 -46.64 83.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.301 -1.318 . . . . 0.0 112.16 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.17 -46.13 82.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.951 0.405 . . . . 0.0 111.483 -175.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.405 HG12 ' CD1' ' A' ' 71' ' ' PHE . 1.8 mp -63.9 -45.98 95.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.283 178.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.4 m -60.15 -35.68 75.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.01 178.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.11 94.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.299 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.32 -40.54 74.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.033 0.444 . . . . 0.0 110.203 178.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.5 mt -65.29 -23.65 67.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.209 178.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.36 -27.6 25.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.876 177.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.44 -43.28 70.2 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 121.423 0.63 . . . . 0.0 110.322 -177.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.49 ' HB2' ' HA ' ' A' ' 25' ' ' PHE . 21.6 p -122.41 58.07 1.07 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.168 -179.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -81.36 -11.01 59.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.078 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.405 ' HB3' ' HB2' ' A' ' 24' ' ' SER . . . -73.78 117.9 16.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -62.69 120.43 11.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.02 6.11 56.07 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 -176.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.405 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 36.9 m -141.65 23.48 2.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.883 0.373 . . . . 0.0 110.474 178.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.49 ' HA ' ' HB2' ' A' ' 19' ' ' CYS . 54.4 t80 -69.27 126.58 30.2 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -108.66 84.93 2.01 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.433 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 5.6 p80 -54.63 -32.23 58.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.302 -176.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.524 ' O ' HG23 ' A' ' 32' ' ' THR . 73.0 tttt -78.09 -42.26 32.67 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.522 -176.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.88 -36.87 70.59 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 174.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.433 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 65.2 t80 -55.47 -55.13 35.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.397 175.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.414 ' CD2' ' HA ' ' A' ' 107' ' ' ILE . 24.6 m-85 -62.28 -46.99 86.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.908 -176.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 28' ' ' LYS . 7.6 t -71.46 -21.73 61.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.82 0.343 . . . . 0.0 111.59 -177.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -84.39 -44.1 14.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.694 0.283 . . . . 0.0 111.124 -178.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.5 m -76.27 -15.95 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 CA-C-O 120.842 0.353 . . . . 0.0 111.327 -178.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.65 17.98 29.2 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.576 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.436 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 14.9 tp -91.51 8.27 37.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.882 0.372 . . . . 0.0 111.232 -175.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.8 -24.87 16.88 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.146 0.498 . . . . 0.0 109.745 171.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -112.35 27.54 9.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.99 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -74.65 177.82 5.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.391 179.552 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.1 m -113.69 164.73 15.11 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.052 173.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -45.13 -46.31 13.63 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.162 2.575 . . . . 0.0 114.361 -177.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.71 -34.08 77.47 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.718 0.294 . . . . 0.0 111.723 -176.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.592 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 4.6 m-20 -62.72 -57.68 10.12 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.733 0.778 . . . . 0.0 109.697 -178.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.403 HG21 ' CE1' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -67.84 -26.59 35.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.774 -176.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 43.3 tptt -61.96 -45.95 91.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.01 0.433 . . . . 0.0 110.396 179.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.592 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -72.82 -24.6 60.93 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.325 -0.55 . . . . 0.0 109.853 179.428 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.583 ' O ' HD12 ' A' ' 51' ' ' ILE . 97.8 t -66.51 -34.9 73.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.814 174.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.498 ' HA ' HD11 ' A' ' 51' ' ' ILE . 19.6 m-30 -59.54 -37.66 79.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.886 173.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -69.63 -19.53 63.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.134 176.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.528 ' CD1' ' HA ' ' A' ' 47' ' ' VAL . 61.9 mt -73.87 -47.28 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -64.62 -30.21 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.49 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.625 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 38.8 t0 -86.76 69.44 10.31 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 169.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -49.43 -50.51 40.51 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.33 -174.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.614 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 5.5 p-10 -76.9 -19.12 57.8 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.119 178.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.537 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 25.8 ttpp 59.87 66.95 0.92 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.731 0.777 . . . . 0.0 112.427 175.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.2 m -127.91 31.7 5.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.616 177.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 69.5 12.2 8.16 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.541 0.736 . . . . 0.0 111.802 177.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -144.22 131.95 21.27 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.592 ' O ' HG21 ' A' ' 59' ' ' VAL . 0.5 OUTLIER -127.42 94.5 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-O 122.11 0.957 . . . . 0.0 110.307 -174.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.521 ' HG2' ' H ' ' A' ' 61' ' ' GLU . 30.9 tt0 -93.35 178.51 5.7 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.911 -173.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.521 ' H ' ' HG2' ' A' ' 60' ' ' GLU . 8.2 tt0 -56.8 -41.54 77.93 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.41 -30.08 68.21 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.343 0.592 . . . . 0.0 110.413 178.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.543 ' O ' ' HB3' ' A' ' 67' ' ' PHE . 40.6 mt-10 -79.89 -42.84 23.35 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.331 177.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.515 ' HG ' ' CD2' ' A' ' 87' ' ' LEU . 3.3 mm? -62.79 -18.45 62.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.491 0.662 . . . . 0.0 110.537 175.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.517 ' O ' HD22 ' A' ' 68' ' ' LEU . 1.4 tppt? -72.68 -52.79 13.83 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.844 178.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.45 HD23 ' NE2' ' A' ' 69' ' ' GLN . 30.6 mt -102.79 4.81 38.3 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -176.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.543 ' HB3' ' O ' ' A' ' 63' ' ' GLU . 1.0 OUTLIER -61.43 -24.4 66.51 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.696 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.517 HD22 ' O ' ' A' ' 65' ' ' LYS . 2.5 mm? -60.62 -43.63 97.27 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.027 174.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.45 ' NE2' HD23 ' A' ' 66' ' ' LEU . 78.8 mt-30 -70.7 -15.11 62.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.969 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -86.06 -34.8 20.6 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.405 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -66.52 -48.13 70.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.416 174.9 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 49.1 m -150.83 132.8 15.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.0 176.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.89 -31.8 51.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.411 -0.813 . . . . 0.0 113.074 -170.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -114.6 72.05 0.24 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.58 -0.819 . . . . 0.0 111.924 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -122.94 148.9 44.94 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.594 0.235 . . . . 0.0 111.166 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.511 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 5.7 mpt_? -71.94 130.18 40.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.046 177.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.69 120.13 18.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.26 175.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.501 ' O ' ' HD3' ' A' ' 65' ' ' LYS . 6.4 mp -63.19 116.3 5.29 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.103 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.541 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 13.1 p -111.34 155.63 22.79 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -171.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.9 t70 54.47 -109.75 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.999 -1.0 . . . . 0.0 112.704 171.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.546 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -80.36 -20.8 43.3 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -170.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 79' ' ' SER . 2.6 mm-40 -64.6 -52.33 58.06 Favored 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.85 -39.65 81.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.182 177.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -58.18 -61.6 2.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.835 -177.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' ' 81' ' ' ALA . 7.6 p -71.12 -27.93 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.963 0.411 . . . . 0.0 110.826 -176.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -69.78 -38.1 76.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.267 177.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.515 ' CD2' ' HG ' ' A' ' 64' ' ' LEU . 64.4 mt -64.53 -43.55 93.64 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 175.141 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -64.14 -28.45 69.77 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.835 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.75 -37.53 71.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.11 0.481 . . . . 0.0 110.907 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.464 ' N ' ' HE1' ' A' ' 106' ' ' MET . . . -107.08 -53.17 0.7 Allowed Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.145 -178.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -78.25 113.91 16.65 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.8 t -86.11 -14.27 44.72 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.142 0.496 . . . . 0.0 109.881 -172.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.617 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 0.2 OUTLIER -78.8 -27.39 44.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.387 0.613 . . . . 0.0 109.512 178.299 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 68.29 30.68 73.63 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -174.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.59 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 2.8 p30 -80.14 -8.47 59.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.673 0.273 . . . . 0.0 111.623 -172.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.22 -9.26 53.96 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.523 -0.846 . . . . 0.0 113.184 175.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.576 ' HG2' ' OD1' ' A' ' 95' ' ' ASP . 4.1 ptpp? -117.57 159.62 22.59 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.541 ' HB ' ' CG2' ' A' ' 59' ' ' VAL . 16.1 mm -101.5 110.25 27.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.002 176.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.474 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -61.12 137.77 47.94 Favored Glycine 0 N--CA 1.437 -1.26 0 N-CA-C 108.775 -1.73 . . . . 0.0 108.775 166.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.3 m -55.09 -44.81 76.02 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.121 0 CA-C-N 117.95 0.875 . . . . 0.0 111.798 -174.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.44 -17.67 53.79 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.748 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.474 ' HB2' ' O ' ' A' ' 99' ' ' GLY . 7.7 mm-40 -63.21 -43.97 96.62 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 170.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.553 ' CE2' HD13 ' A' ' 107' ' ' ILE . 25.6 t80 -63.05 -48.19 79.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.508 -179.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.86 -34.28 61.17 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.256 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.88 -30.71 65.69 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.469 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 7.6 ptp -77.32 -23.52 50.95 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.931 0.396 . . . . 0.0 110.45 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.553 HD13 ' CE2' ' A' ' 103' ' ' PHE . 66.6 mt -80.03 -37.46 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.697 0.761 . . . . 0.0 109.824 -178.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.411 ' HE3' ' HB3' ' A' ' 108' ' ' LYS . 0.6 OUTLIER -84.74 -12.74 53.13 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.564 -178.662 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.678 -0.677 . . . . 0.0 110.935 178.304 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . 0.625 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . 0.617 'CA ' ' OD2' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.2 mmm . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 67.46 -72.61 0.09 Allowed 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.871 0.732 . . . . 0.0 110.662 -175.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -114.79 111.34 21.1 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 174.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.415 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -76.72 -176.03 3.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.952 -177.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.9 19.16 2.83 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.496 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.451 HG21 ' OD2' ' A' ' 43' ' ' ASP . 25.3 mm -59.85 -36.24 65.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 173.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.68 142.98 33.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.497 176.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -101.07 109.15 21.01 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 176.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -51.26 -35.54 37.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.106 -177.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.81 -45.85 80.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.334 178.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.95 -42.84 97.2 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.104 0.478 . . . . 0.0 110.746 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.444 ' O ' HD22 ' A' ' 16' ' ' LEU . 1.8 mp -59.79 -55.46 23.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.072 175.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.2 m -54.13 -35.55 62.32 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.646 178.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.33 -44.57 96.97 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.878 0.37 . . . . 0.0 110.64 178.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.89 96.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.515 176.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.444 HD22 ' O ' ' A' ' 12' ' ' ILE . 4.4 mm? -64.84 -24.49 67.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.028 177.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.77 -36.82 62.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.857 0.36 . . . . 0.0 110.903 178.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.06 -28.85 39.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.061 0.458 . . . . 0.0 110.662 178.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.541 ' SG ' ' HA ' ' A' ' 25' ' ' PHE . 62.3 m -116.67 63.1 0.72 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.425 -178.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -109.39 2.77 20.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.194 0.521 . . . . 0.0 110.439 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.49 139.57 46.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.007 -177.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -64.26 115.55 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.955 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.06 -24.07 19.63 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 111.431 -0.668 . . . . 0.0 111.431 -176.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.8 t -96.26 -4.26 42.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.78 0.324 . . . . 0.0 110.452 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.541 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 50.5 p90 -80.55 146.73 31.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.023 0.439 . . . . 0.0 111.14 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -137.57 102.18 4.69 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 169.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -53.13 -36.76 61.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.724 -175.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.471 ' O ' HG22 ' A' ' 32' ' ' THR . 2.8 tmmm? -67.38 -50.67 58.77 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.853 -178.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.5 -34.56 64.72 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.061 177.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -56.69 -58.89 6.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.945 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -68.04 -35.96 79.1 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -174.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 28' ' ' LYS . 9.7 t -75.22 -23.26 57.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.784 0.326 . . . . 0.0 111.129 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -83.43 -46.57 12.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.737 -178.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.2 m -72.8 -10.27 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 CA-C-O 120.981 0.42 . . . . 0.0 110.938 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.18 24.85 60.58 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.516 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.461 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 11.5 tp -81.49 -18.98 43.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.099 0.476 . . . . 0.0 110.462 -178.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.74 -15.54 63.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.559 -178.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.84 38.68 3.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.912 0.387 . . . . 0.0 110.939 -178.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.461 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 29.8 mmtp -99.37 165.72 11.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.313 0.578 . . . . 0.0 112.021 -178.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.2 m -100.34 159.52 29.52 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.068 178.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -43.5 -49.19 7.89 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.43 2.753 . . . . 0.0 114.115 -177.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.88 -35.45 80.04 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.997 0.427 . . . . 0.0 111.721 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.62 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 10.1 t70 -70.76 -45.48 64.71 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -178.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.491 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 4.5 mt -71.52 -20.94 21.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.856 177.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.579 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 49.8 tptt -63.13 -45.37 92.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.99 0.424 . . . . 0.0 110.419 174.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.62 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -70.32 -22.91 62.77 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.703 -0.799 . . . . 0.0 109.362 175.624 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.58 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 78.0 t -66.72 -30.32 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.948 172.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.579 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -56.1 -47.39 78.13 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 168.918 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -64.72 -15.52 61.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.859 177.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.58 ' HB ' ' O ' ' A' ' 47' ' ' VAL . 32.9 mm -76.5 -53.72 14.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.553 HD13 ' O ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -70.18 -31.17 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 118.511 0.596 . . . . 0.0 109.483 177.465 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.564 ' CG ' ' HA ' ' A' ' 55' ' ' LYS . 8.5 t0 -83.56 77.37 9.85 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 174.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -57.06 -32.97 66.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.634 0.73 . . . . 0.0 109.743 -178.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.619 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 0.0 OUTLIER -99.46 -2.29 36.4 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.223 179.308 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.564 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 20.1 pttm 39.21 66.01 0.61 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 175.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 68.4 m -121.54 25.57 9.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.092 177.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 56' ' ' SER . 29.2 m-20 78.03 -2.08 2.5 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.059 0.944 . . . . 0.0 111.703 176.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -137.28 136.99 38.53 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 175.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.589 HG22 ' H ' ' A' ' 98' ' ' ILE . 1.3 m -117.09 113.88 44.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-O 121.274 0.559 . . . . 0.0 109.561 -177.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -93.01 -177.38 4.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.258 -176.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -70.35 -47.1 62.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.809 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -58.17 -26.44 62.74 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.137 0.494 . . . . 0.0 110.008 177.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.401 ' OE2' ' HA ' ' A' ' 59' ' ' VAL . 27.8 mt-10 -72.26 -51.53 20.53 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.611 174.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.56 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -63.61 -18.87 64.36 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 111.578 -179.845 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.471 ' O ' HD23 ' A' ' 68' ' ' LEU . 20.1 mmtp -60.11 -54.75 42.23 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.218 0.532 . . . . 0.0 110.608 173.217 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.441 HD21 HE21 ' A' ' 69' ' ' GLN . 45.0 mt -103.93 5.15 35.42 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.378 -175.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.56 ' HD1' ' O ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -61.89 -24.22 66.8 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.769 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 2.4 mm? -60.95 -46.91 88.82 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.108 174.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.441 HE21 HD21 ' A' ' 66' ' ' LEU . 38.7 mt-30 -71.46 -12.41 61.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.917 179.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.449 ' HB3' ' O ' ' A' ' 67' ' ' PHE . 53.1 t30 -83.12 -33.29 26.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.249 175.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -82.51 -45.34 14.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.447 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.7 t -150.92 148.1 28.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.107 0.48 . . . . 0.0 110.772 -179.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.47 -8.42 59.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.167 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -107.46 15.2 38.8 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.122 179.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.428 ' HA ' ' HG ' ' A' ' 16' ' ' LEU . . . -95.45 155.11 16.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.917 0.389 . . . . 0.0 111.146 -177.484 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.589 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 29.2 mmm180 -106.5 148.07 28.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.693 -176.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.65 123.6 24.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.787 0.327 . . . . 0.0 110.428 176.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.7 mp -67.68 154.1 42.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.433 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.4 p -97.17 -171.82 2.3 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -169.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -48.88 -73.27 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.853 0.861 . . . . 0.0 113.296 -172.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.586 ' O ' HG13 ' A' ' 85' ' ' VAL . . . -78.02 -22.32 49.44 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.246 -173.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -65.0 -57.44 8.69 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.508 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.556 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 6.8 m -57.82 -40.75 80.75 Favored 'General case' 0 C--O 1.226 -0.144 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.065 175.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -55.84 -60.07 3.99 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.062 -177.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.586 HG13 ' O ' ' A' ' 81' ' ' ALA . 10.1 p -74.48 -27.22 20.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.953 0.406 . . . . 0.0 110.93 -176.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -64.19 -36.02 82.7 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.339 -0.391 . . . . 0.0 109.972 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 83' ' ' THR . 79.8 mt -64.0 -42.28 97.22 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.107 0.479 . . . . 0.0 109.975 172.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -66.23 -17.93 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.263 -176.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.85 -23.41 67.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.137 0.494 . . . . 0.0 110.336 174.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.431 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -120.48 -59.86 0.24 Allowed Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.536 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.613 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 26.4 t0 -72.31 105.51 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 177.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.0 t -88.78 -14.31 37.39 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.405 0.621 . . . . 0.0 109.34 -174.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.626 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 1.6 m-20 -78.25 -26.32 47.22 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.933 -176.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.48 36.7 22.71 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.777 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.527 ' HB2' ' HG2' ' A' ' 97' ' ' LYS . 58.0 m-20 -81.35 -21.04 39.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.122 0.487 . . . . 0.0 110.375 -178.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.03 24.82 23.92 Favored Glycine 0 C--N 1.33 0.199 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.684 -178.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.527 ' HG2' ' HB2' ' A' ' 95' ' ' ASP . 20.5 ptmt -134.92 178.83 6.71 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 122.929 0.491 . . . . 0.0 109.708 -175.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.589 ' H ' HG22 ' A' ' 59' ' ' VAL . 8.9 mm -127.12 109.53 20.79 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.016 168.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -68.3 138.1 32.06 Favored Glycine 0 N--CA 1.436 -1.337 0 N-CA-C 109.04 -1.624 . . . . 0.0 109.04 166.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.451 HG23 ' CD1' ' A' ' 48' ' ' PHE . 84.9 t -59.68 -41.78 86.36 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.101 0 CA-C-N 117.241 0.521 . . . . 0.0 111.008 -176.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -61.17 -37.91 84.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.228 0.537 . . . . 0.0 110.163 173.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.452 ' OE2' ' HA ' ' A' ' 91' ' ' ASP . 48.6 mt-10 -67.31 -39.27 85.9 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.356 178.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.572 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . 21.1 t80 -67.32 -46.66 72.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.174 178.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.54 -31.64 60.38 Favored Glycine 0 N--CA 1.452 -0.251 0 CA-C-N 115.938 -0.573 . . . . 0.0 112.326 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.17 -39.97 82.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.527 0.203 . . . . 0.0 110.999 177.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.42 ' HE1' ' N ' ' A' ' 90' ' ' GLY . 3.9 ptp -75.89 -20.11 58.31 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.722 0.296 . . . . 0.0 110.721 -178.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 103' ' ' PHE . 78.4 mt -78.56 -38.19 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.823 0.821 . . . . 0.0 109.517 178.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.8 tmmm? -83.06 -17.12 44.34 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.372 -1.285 . . . . 0.0 110.699 -176.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.499 -0.762 . . . . 0.0 110.96 -179.952 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . 0.619 'CA ' ' OD1' ' A' ' 54' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . 0.626 'CA ' ' OD2' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 tmm? . . . . . 0 N--CA 1.482 1.167 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.09 142.22 43.16 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.269 0.355 . . . . 0.0 111.618 -177.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 55.81 44.93 25.23 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.368 -179.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 62.68 8.96 3.25 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.918 179.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 68.6 14.17 66.78 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.321 -178.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.481 HG21 ' OD2' ' A' ' 43' ' ' ASP . 34.6 mm -61.93 -46.17 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.542 0.687 . . . . 0.0 109.57 177.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.401 ' N ' HD21 ' A' ' 7' ' ' LEU . 1.6 pt? -132.25 127.2 35.22 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.721 177.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -76.06 105.22 6.98 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 174.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -54.98 -36.17 65.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.576 -173.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.22 -42.33 98.41 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.497 177.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -71.29 -41.31 70.14 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.005 0.431 . . . . 0.0 110.832 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.07 -49.85 80.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.943 175.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.4 m -60.11 -37.4 79.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.001 178.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.4 -43.74 93.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.968 0.413 . . . . 0.0 111.166 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.94 -39.24 87.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.541 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.732 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 81.2 mt -68.04 -30.48 69.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.957 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.06 -29.27 66.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.285 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.35 -43.1 28.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.456 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.732 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 27.2 p -80.46 4.17 19.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.16 0.505 . . . . 0.0 110.995 -179.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -80.71 -18.53 47.55 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 171.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.47 109.75 18.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.756 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -68.15 113.25 5.64 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.479 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.06 3.16 33.91 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.667 -176.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.2 m -141.83 56.69 1.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.212 0.529 . . . . 0.0 110.663 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.54 ' HB3' ' OE1' ' A' ' 82' ' ' GLU . 61.1 m-85 -96.19 130.2 43.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.368 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -137.22 91.95 2.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.434 0.635 . . . . 0.0 109.717 173.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.47 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 4.7 t60 -69.27 -26.54 64.81 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.577 -176.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' O ' HG22 ' A' ' 32' ' ' THR . 39.2 ttpt -68.84 -46.96 67.2 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 176.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.442 ' HA ' ' CG2' ' A' ' 32' ' ' THR . . . -59.13 -30.46 68.15 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.324 176.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.476 ' O ' HG11 ' A' ' 34' ' ' VAL . 75.7 t80 -57.05 -57.08 14.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.225 176.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.508 ' CD2' ' HA ' ' A' ' 107' ' ' ILE . 29.0 m-85 -64.24 -38.89 92.66 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -176.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.443 HG22 ' O ' ' A' ' 28' ' ' LYS . 5.0 t -75.38 -21.93 57.89 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.381 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -86.74 -44.32 11.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.115 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.476 HG11 ' O ' ' A' ' 30' ' ' PHE . 22.0 m -69.13 -18.08 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 CA-C-O 120.798 0.333 . . . . 0.0 111.114 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.16 22.78 40.1 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.566 177.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 15.2 tp -96.1 12.39 30.86 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-O 121.012 0.434 . . . . 0.0 111.268 -176.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.51 -22.61 18.13 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 171.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -110.33 27.73 9.34 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.008 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -72.7 174.13 8.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.603 0.716 . . . . 0.0 112.727 178.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.5 m -109.65 163.3 17.41 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.153 175.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.494 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 94.1 Cg_exo -45.26 -51.35 7.91 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.934 2.423 . . . . 0.0 113.771 -178.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.55 -22.45 63.55 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.845 0.355 . . . . 0.0 111.774 -176.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.645 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 15.4 t0 -67.09 -49.7 64.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.577 0.703 . . . . 0.0 109.129 -178.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.521 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 2.5 mt -66.88 -19.3 25.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.246 177.256 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.774 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 27.0 mmtp -70.67 -37.03 73.62 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.895 -0.503 . . . . 0.0 111.313 175.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.645 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -72.59 -21.95 61.06 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.011 -1.076 . . . . 0.0 108.858 172.495 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.521 ' HB ' ' O ' ' A' ' 44' ' ' ILE . 92.1 t -68.75 -36.03 72.44 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.129 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.102 171.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.774 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 5.6 t80 -45.81 -48.14 15.71 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 169.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -69.63 -28.24 65.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.942 -1.026 . . . . 0.0 112.001 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.627 HG13 ' O ' ' A' ' 46' ' ' LYS . 51.0 mt -68.03 -54.29 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -175.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.633 ' HB ' HG12 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -63.85 -36.1 75.49 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.714 0 C-N-CA 119.581 -0.848 . . . . 0.0 109.175 -178.199 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.625 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 28.0 t0 -87.82 77.2 8.61 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 108.866 -0.791 . . . . 0.0 108.866 175.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.542 ' HA ' HD21 ' A' ' 70' ' ' ASN . 0.0 OUTLIER -59.74 -22.09 61.61 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -172.684 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.622 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 1.8 p-10 -104.1 -4.42 23.23 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.521 0.2 . . . . 0.0 110.915 176.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt 45.41 65.62 1.09 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 172.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 22.2 p -130.07 22.24 5.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.266 174.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 56' ' ' SER . 1.6 m-20 78.79 17.46 0.99 Allowed 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.188 -0.915 . . . . 0.0 113.038 172.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -141.65 130.46 22.95 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 174.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.633 HG12 ' HB ' ' A' ' 51' ' ' ILE . 46.4 t -126.07 81.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.603 -172.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -79.63 -174.2 4.17 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.698 0.285 . . . . 0.0 111.271 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.17 -39.31 94.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.689 0.281 . . . . 0.0 111.012 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.23 -28.32 66.58 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.195 0.522 . . . . 0.0 110.569 176.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.47 ' HG3' ' H ' ' A' ' 53' ' ' GLN . 1.8 tp10 -69.35 -48.25 61.91 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.673 177.185 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.446 ' HA ' ' HB3' ' A' ' 67' ' ' PHE . 4.2 mm? -63.03 -19.75 64.67 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.193 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.524 ' O ' HD21 ' A' ' 68' ' ' LEU . 12.0 mptt -66.67 -51.1 59.89 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.083 0.468 . . . . 0.0 110.68 178.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 51.6 mt -102.75 4.52 38.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.202 0.525 . . . . 0.0 111.991 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.446 ' HB3' ' HA ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -60.43 -23.64 64.56 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 175.812 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 2.5 mm? -65.2 -40.2 93.87 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.833 174.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -67.79 -19.15 65.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.444 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.542 HD21 ' HA ' ' A' ' 53' ' ' GLN . 50.3 t-20 -83.6 -42.01 17.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.426 174.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.99 -46.52 88.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.74 -177.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.6 p -148.99 165.61 31.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.264 -177.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.86 -43.88 43.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.198 -177.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -107.95 80.78 0.28 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.445 179.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.405 ' HB3' ' HB3' ' A' ' 68' ' ' LEU . . . -121.65 165.28 15.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.962 0.411 . . . . 0.0 111.915 -174.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.607 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 1.2 mmp_? -110.27 125.89 53.6 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.824 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.21 119.91 12.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.937 0.399 . . . . 0.0 111.197 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.43 ' HG ' ' HG2' ' A' ' 82' ' ' GLU . 6.2 mp -65.71 134.56 53.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.893 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.2 m -147.58 -178.79 6.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.403 -179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.448 ' HB3' ' H ' ' A' ' 81' ' ' ALA . 1.8 m-20 65.12 -158.01 0.29 Allowed 'General case' 0 C--O 1.236 0.373 0 O-C-N 123.594 0.559 . . . . 0.0 110.609 -178.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.682 ' O ' HG13 ' A' ' 85' ' ' VAL . . . -55.41 -26.6 42.7 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -177.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.635 ' O ' ' HB2' ' A' ' 86' ' ' PHE . 8.3 tp10 -52.75 -51.92 58.6 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 122.604 0.362 . . . . 0.0 110.801 -177.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.821 ' O ' ' HB3' ' A' ' 87' ' ' LEU . 1.2 m -67.63 -30.35 69.89 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.821 -179.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -72.58 -61.73 1.7 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.179 0.514 . . . . 0.0 111.181 -175.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.682 HG13 ' O ' ' A' ' 81' ' ' ALA . 2.7 p -76.7 -35.77 25.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.605 -173.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.635 ' HB2' ' O ' ' A' ' 82' ' ' GLU . 22.8 m-85 -86.82 -18.41 31.07 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -174.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.821 ' HB3' ' O ' ' A' ' 83' ' ' THR . 0.1 OUTLIER -81.02 -26.73 36.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 166.303 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -70.09 -21.26 63.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.457 173.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.42 -23.58 50.32 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.172 0.51 . . . . 0.0 110.708 174.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.584 ' O ' ' HB3' ' A' ' 102' ' ' GLU . . . -103.83 -61.06 0.68 Allowed Glycine 0 N--CA 1.442 -0.916 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.875 -178.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.596 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 49.1 t0 -59.37 111.82 1.52 Allowed 'General case' 0 C--O 1.233 0.201 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 -177.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.5 m -87.09 -20.46 27.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.275 0.559 . . . . 0.0 110.181 -172.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.626 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 0.3 OUTLIER -82.78 -25.75 32.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.171 -179.02 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 70.29 43.83 61.59 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -173.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.591 ' OD2' ' HG2' ' A' ' 97' ' ' LYS . 4.4 p-10 -107.52 -8.33 16.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.578 -0.311 . . . . 0.0 110.953 -173.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.33 28.73 5.96 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.705 -0.759 . . . . 0.0 114.176 169.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.591 ' HG2' ' OD2' ' A' ' 95' ' ' ASP . 8.5 ptpp? -152.89 146.5 25.06 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 121.685 0.755 . . . . 0.0 111.008 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.57 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 20.9 mm -88.67 100.45 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.816 174.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.456 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -62.16 138.11 45.73 Favored Glycine 0 N--CA 1.433 -1.524 0 N-CA-C 107.705 -2.158 . . . . 0.0 107.705 162.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.684 HG21 ' CD2' ' A' ' 48' ' ' PHE . 93.3 t -63.76 -37.8 80.63 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 CA-C-N 118.051 0.926 . . . . 0.0 110.938 -173.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -59.67 -44.16 93.69 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.578 172.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.584 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 5.3 mm-40 -57.08 -43.97 82.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.405 176.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.648 ' O ' HG13 ' A' ' 107' ' ' ILE . 17.3 t80 -62.21 -45.65 92.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.195 -179.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -54.33 -35.5 55.79 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.323 178.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.16 -32.92 71.11 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.476 ' HE3' ' N ' ' A' ' 90' ' ' GLY . 5.3 ptp -79.08 -22.73 44.86 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.95 0.405 . . . . 0.0 110.103 178.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.648 HG13 ' O ' ' A' ' 103' ' ' PHE . 67.1 mt -75.54 -35.63 32.58 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-O 121.899 0.857 . . . . 0.0 109.338 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.24 -31.85 20.06 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.965 -178.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.733 -0.651 . . . . 0.0 110.512 -179.619 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . 0.625 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . 0.626 'CA ' ' OD2' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.08 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.507 ' CG2' ' HE3' ' A' ' 39' ' ' LYS . 56.2 mt -59.63 -32.6 49.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 121.601 0.715 . . . . 0.0 109.575 172.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.41 HD23 ' H ' ' A' ' 7' ' ' LEU . 1.3 pt? -121.07 149.72 42.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.737 175.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -101.62 106.18 17.2 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 175.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -50.13 -37.98 36.93 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.386 -176.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.69 -41.15 96.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -72.54 -37.36 68.31 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 120.665 0.269 . . . . 0.0 110.943 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.57 -54.42 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.47 172.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.4 m -60.37 -39.21 86.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.509 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.93 -61.46 2.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.765 -178.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.44 -32.83 74.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.303 -177.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.707 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 67.6 mt -69.55 -31.32 69.45 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.82 0.343 . . . . 0.0 111.486 178.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.94 -29.06 64.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.001 0.429 . . . . 0.0 109.931 175.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.39 -42.06 19.14 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.134 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.707 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 31.9 p -81.95 45.37 0.91 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.774 0.797 . . . . 0.0 110.574 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -115.36 -13.44 11.66 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.829 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.63 132.47 48.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.343 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.99 120.0 11.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.04 0.447 . . . . 0.0 110.561 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.65 -18.46 29.61 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 -175.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.1 m -108.7 51.02 0.76 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.14 -0.53 . . . . 0.0 109.76 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -102.26 58.0 0.81 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.023 -174.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -87.83 77.58 8.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 122.061 0.934 . . . . 0.0 109.243 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.632 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -84.84 -20.94 30.09 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.433 -175.241 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.469 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 16.1 mtmm -67.79 -33.06 74.08 Favored 'General case' 0 N--CA 1.423 -1.819 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 175.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 33' ' ' LYS . . . -65.14 -31.63 72.92 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.948 173.227 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.632 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 51.5 t80 -57.01 -50.73 71.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.342 175.287 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.469 ' CD2' ' HA ' ' A' ' 28' ' ' LYS . 15.4 m-85 -60.18 -46.68 88.88 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.772 0.32 . . . . 0.0 111.096 -177.197 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.0 t -74.22 -21.75 59.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.636 -177.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 47.7 tttm -81.63 -48.66 11.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.835 0.35 . . . . 0.0 110.899 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.4 m -75.0 -8.54 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.562 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.86 19.43 53.8 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.508 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.422 HD12 ' HG3' ' A' ' 39' ' ' LYS . 13.7 tp -77.04 -21.7 54.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.804 0.335 . . . . 0.0 110.574 -175.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.05 -4.64 48.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.104 0.478 . . . . 0.0 110.455 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -116.95 44.27 2.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.765 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.507 ' HE3' ' CG2' ' A' ' 6' ' ' ILE . 15.5 mmtm -108.61 149.78 28.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.049 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.5 m -92.62 162.39 29.53 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 177.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.506 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 81.3 Cg_exo -42.87 -49.78 6.57 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.972 2.448 . . . . 0.0 113.332 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.93 -43.38 91.16 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 120.785 0.326 . . . . 0.0 111.586 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.735 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 37.1 m-20 -64.75 -48.08 75.86 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.426 ' HA ' HD13 ' A' ' 44' ' ' ILE . 6.1 mm -61.46 -24.95 35.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.39 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.645 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 30.4 mmtp -77.6 -31.88 53.23 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 122.086 -0.384 . . . . 0.0 111.894 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.735 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -74.67 -30.85 61.73 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 173.249 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 43' ' ' ASP . 38.5 t -68.74 -30.92 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.653 174.402 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.741 ' HA ' HD11 ' A' ' 51' ' ' ILE . 2.0 t80 -52.18 -49.51 63.71 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.236 0.541 . . . . 0.0 110.196 169.364 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -66.75 -15.29 63.44 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.023 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 47' ' ' VAL . 51.9 mt -75.68 -50.63 22.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 119.229 -0.415 . . . . 0.0 111.867 174.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.741 HD11 ' HA ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -67.5 -22.1 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 176.677 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.428 ' CG ' ' H ' ' A' ' 56' ' ' SER . 38.9 t0 -93.25 62.89 3.54 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 170.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -65.35 -21.04 66.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.181 0.515 . . . . 0.0 110.581 -172.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.553 ' OD1' ' HG2' ' A' ' 63' ' ' GLU . 1.5 m-20 -85.06 -19.05 32.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.368 177.174 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.7 tptt 60.74 63.83 1.25 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 121.818 0.818 . . . . 0.0 109.686 -173.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.428 ' H ' ' CG ' ' A' ' 52' ' ' ASP . 52.5 p -122.15 10.37 10.01 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.375 -173.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.7 t70 70.82 -3.26 2.03 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.576 0.75 . . . . 0.0 110.964 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -136.85 150.83 48.52 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.678 HG21 ' HB ' ' A' ' 51' ' ' ILE . 0.4 OUTLIER -122.28 102.36 11.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.65 0.738 . . . . 0.0 110.455 -176.624 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.481 ' OE2' ' HE3' ' A' ' 97' ' ' LYS . 59.7 mm-40 -94.42 174.92 6.89 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.105 -179.199 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -58.98 -43.29 91.36 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.668 0.27 . . . . 0.0 111.64 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -60.62 -22.01 63.33 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.991 0.424 . . . . 0.0 111.199 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.553 ' HG2' ' OD1' ' A' ' 54' ' ' ASP . 44.1 mt-10 -81.92 -39.96 23.01 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 177.252 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.62 ' HG ' HD21 ' A' ' 87' ' ' LEU . 2.7 mm? -62.94 -19.19 64.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.95 0.405 . . . . 0.0 111.154 176.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.442 ' HB3' HD22 ' A' ' 66' ' ' LEU . 11.5 mptt -65.5 -52.57 51.79 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.008 177.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.497 HD12 ' NE2' ' A' ' 69' ' ' GLN . 1.4 mm? -103.07 3.86 36.51 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -179.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.624 ' CD1' ' HG ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -62.1 -26.82 68.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.381 0.61 . . . . 0.0 109.552 -177.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.624 ' HG ' ' CD1' ' A' ' 67' ' ' PHE . 0.7 OUTLIER -73.2 -34.02 65.72 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.424 -178.447 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.497 ' NE2' HD12 ' A' ' 66' ' ' LEU . 78.6 mt-30 -67.82 -23.74 65.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.345 0.593 . . . . 0.0 109.441 175.239 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.443 ' OD1' ' HA ' ' A' ' 50' ' ' ILE . 2.3 t-20 -82.83 -29.09 29.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.562 176.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -71.84 -51.19 23.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.371 175.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.4 m -148.03 141.13 24.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.885 178.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.64 -28.12 69.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.541 -170.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -110.15 47.27 1.06 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.281 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.435 ' HB1' HD13 ' A' ' 16' ' ' LEU . . . -101.09 157.61 16.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.874 0.369 . . . . 0.0 111.172 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.51 ' O ' HD13 ' A' ' 68' ' ' LEU . 20.3 mmt180 -92.36 142.34 27.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.498 -177.492 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.1 133.27 36.08 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 175.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.516 ' HG ' HD11 ' A' ' 68' ' ' LEU . 45.4 mt -74.81 142.87 44.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.595 -172.131 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.8 p -96.73 -171.49 2.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.969 -176.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -48.86 -66.64 0.37 Allowed 'General case' 0 CA--C 1.505 -0.771 0 O-C-N 123.68 0.612 . . . . 0.0 112.503 -174.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.5 -26.45 60.01 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.867 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.462 ' OE1' ' HB2' ' A' ' 19' ' ' CYS . 21.4 tp10 -66.77 -57.59 6.76 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.684 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.5 m -59.48 -37.55 78.54 Favored 'General case' 0 C--O 1.223 -0.329 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.185 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -59.06 -61.6 2.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.679 -177.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.98 -38.18 81.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.56 -176.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.412 ' HE2' HD12 ' A' ' 64' ' ' LEU . 11.2 t80 -60.45 -51.4 69.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.04 177.369 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.62 HD21 ' HG ' ' A' ' 64' ' ' LEU . 76.6 mt -57.25 -51.86 67.63 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 120.986 0.422 . . . . 0.0 110.082 178.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm -65.41 -15.45 62.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.771 -174.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.69 -37.23 63.02 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.548 ' CA ' ' HB3' ' A' ' 106' ' ' MET . . . -114.36 -42.46 0.82 Allowed Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.015 177.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.439 ' HA ' ' CD ' ' A' ' 102' ' ' GLU . 25.7 t0 -60.06 94.12 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.145 0.497 . . . . 0.0 109.985 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.8 m -96.97 -27.51 14.6 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.054 -175.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.0 p30 -83.0 -7.01 59.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.32 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.92 44.95 90.82 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.299 -0.864 . . . . 0.0 113.247 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 39.2 p-10 -109.22 20.07 18.73 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.9 28.81 73.28 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.318 -0.468 . . . . 0.0 112.908 171.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.52 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 6.5 ptmt -144.14 167.01 23.42 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -174.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.591 HD11 ' HA ' ' A' ' 87' ' ' LEU . 25.0 mm -105.71 98.06 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 170.058 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.65 137.43 48.67 Favored Glycine 0 N--CA 1.433 -1.51 0 N-CA-C 107.159 -2.376 . . . . 0.0 107.159 166.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.468 HG11 ' CD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -70.61 -18.56 21.21 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 CA-C-N 118.599 1.2 . . . . 0.0 110.841 -170.465 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -81.0 -34.32 33.01 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.038 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.504 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 16.1 mt-10 -62.52 -38.09 88.61 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 170.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.731 ' O ' ' HG2' ' A' ' 106' ' ' MET . 18.2 t80 -62.81 -53.08 59.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.209 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.37 -35.15 60.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.554 -0.832 . . . . 0.0 111.882 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.79 -45.24 68.41 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.731 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 8.8 ptm -67.41 -31.33 71.46 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.631 0.253 . . . . 0.0 111.399 -177.075 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.641 HD11 ' CE2' ' A' ' 103' ' ' PHE . 75.5 mt -75.89 -38.41 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-O 121.654 0.74 . . . . 0.0 109.648 -177.287 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.54 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -77.98 -31.75 50.9 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 114.633 -1.167 . . . . 0.0 109.884 -177.566 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 O-C-N 123.728 0.642 . . . . 0.0 110.15 -174.673 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.72 -35.07 49.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 121.803 0.811 . . . . 0.0 109.397 172.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.591 ' H ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -128.53 156.11 43.8 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.5 176.902 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -102.1 135.57 43.46 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -57.45 -34.35 68.88 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 176.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.46 -40.73 76.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.065 -0.97 . . . . 0.0 112.1 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.663 ' OD1' ' HA ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -77.56 -42.36 35.6 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.125 0.488 . . . . 0.0 110.567 -173.157 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.444 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.6 mp -57.86 -54.35 32.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.226 171.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.5 m -56.59 -33.12 65.9 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.267 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.2 -44.1 87.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.84 0.353 . . . . 0.0 110.582 177.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.02 -41.1 82.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.087 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 12' ' ' ILE . 4.6 mm? -61.98 -38.85 90.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.294 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.98 -25.69 59.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.884 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.732 ' O ' ' HB3' ' A' ' 24' ' ' SER . . . -76.08 -43.43 43.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.905 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.1 m -87.06 47.06 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.989 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -66.54 -37.26 84.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.642 -174.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.498 ' H ' ' HB2' ' A' ' 24' ' ' SER . . . -166.56 -157.29 0.27 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.779 0.323 . . . . 0.0 111.748 -175.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.421 ' HA ' ' CE2' ' A' ' 25' ' ' PHE . 54.7 mm-40 -52.24 133.97 33.76 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.586 -0.733 . . . . 0.0 112.028 -177.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.19 -7.59 10.53 Favored Glycine 0 CA--C 1.519 0.337 0 CA-C-N 115.451 -0.795 . . . . 0.0 113.356 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.732 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 45.7 m -99.39 -27.67 13.64 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.571 -0.37 . . . . 0.0 111.438 -177.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.559 ' CD1' HG11 ' A' ' 85' ' ' VAL . 3.6 p90 -69.5 118.31 12.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.371 0.605 . . . . 0.0 111.779 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.425 ' OD2' ' HB3' ' A' ' 28' ' ' LYS . 15.7 t70 -137.91 97.79 3.5 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.48 173.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.424 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 3.7 p-80 -52.13 -33.05 38.3 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.38 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.559 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 64.0 tttm -67.85 -53.79 24.05 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.749 -178.306 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.68 -38.5 64.26 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.148 174.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.424 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 78.2 t80 -55.85 -58.93 5.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.919 178.024 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 28' ' ' LYS . 1.9 p90 -62.41 -38.72 90.78 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.272 0.558 . . . . 0.0 111.274 -174.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 28' ' ' LYS . 8.3 t -86.57 -21.09 27.06 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.114 -170.483 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -80.82 -42.87 20.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.481 177.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.663 ' HA ' ' OD1' ' A' ' 11' ' ' ASP . 11.3 m -80.91 -1.17 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-O 121.211 0.529 . . . . 0.0 111.03 178.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.449 ' O ' ' HG2' ' A' ' 39' ' ' LYS . . . 65.74 34.06 87.73 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.815 -0.629 . . . . 0.0 112.372 178.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.568 HD11 HG21 ' A' ' 47' ' ' VAL . 12.2 tp -76.75 -33.4 58.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.829 0.347 . . . . 0.0 110.707 -177.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.49 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . . . -67.21 -21.13 65.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.017 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -93.51 -6.11 47.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.27 178.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 46.4 mmtm -72.21 144.77 48.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.413 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.3 m -75.13 157.12 85.51 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.848 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -43.75 -47.56 9.65 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.193 2.596 . . . . 0.0 113.51 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.24 95.88 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.193 0.521 . . . . 0.0 111.683 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.536 ' O ' HG23 ' A' ' 47' ' ' VAL . 19.7 m-20 -68.15 -42.9 79.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.789 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 mt -70.36 -23.42 24.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.043 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 21.4 tptm -64.65 -44.45 90.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.009 0.433 . . . . 0.0 110.935 177.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.748 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -72.69 -24.07 60.96 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.039 -0.664 . . . . 0.0 109.827 176.214 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.568 HG21 HD11 ' A' ' 36' ' ' LEU . 96.1 t -65.24 -38.55 82.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.298 0.571 . . . . 0.0 109.711 171.355 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.762 ' HA ' HD11 ' A' ' 51' ' ' ILE . 10.5 m-30 -59.23 -35.76 74.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.214 176.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.748 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 8.3 pt-20 -79.07 -15.7 57.82 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.449 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.699 HG13 ' O ' ' A' ' 46' ' ' LYS . 47.1 mt -70.28 -45.66 74.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.423 176.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.776 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -62.56 -35.4 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 176.018 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.403 ' OD2' ' HA ' ' A' ' 55' ' ' LYS . 34.8 t0 -80.65 62.51 4.74 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.211 174.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.33 -37.16 72.11 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.533 0.682 . . . . 0.0 110.813 -171.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.589 ' HB3' ' OE2' ' A' ' 63' ' ' GLU . 3.1 t70 -75.77 -18.67 59.45 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.575 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.403 ' HA ' ' OD2' ' A' ' 52' ' ' ASP . 24.3 tptp 62.53 65.01 0.87 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 122.14 0.971 . . . . 0.0 110.834 -176.106 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.413 ' C ' ' H ' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -110.73 -0.81 16.93 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.665 -1.152 . . . . 0.0 110.462 -179.113 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 56' ' ' SER . 2.5 m-20 71.63 -1.12 2.91 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.685 0.794 . . . . 0.0 110.374 -174.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.413 ' H ' ' C ' ' A' ' 56' ' ' SER . 96.5 m-85 -136.12 139.3 42.83 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 172.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.776 HG11 ' HB ' ' A' ' 51' ' ' ILE . 59.5 t -103.67 114.21 42.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.384 -173.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -88.17 177.39 6.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.9 0.381 . . . . 0.0 111.304 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -66.4 -46.35 76.9 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.976 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -68.79 -23.24 64.27 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.662 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.589 ' OE2' ' HB3' ' A' ' 54' ' ' ASP . 44.6 mt-10 -70.81 -39.4 73.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.075 172.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.568 ' HG ' HD13 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -62.85 -28.96 70.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.581 179.81 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.473 ' HB3' HD22 ' A' ' 66' ' ' LEU . 9.6 mptt -60.5 -55.71 30.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.872 -179.007 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.473 HD22 ' HB3' ' A' ' 65' ' ' LYS . 1.2 mm? -100.61 5.39 43.89 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.702 -0.399 . . . . 0.0 112.024 -175.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.597 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -58.05 -32.25 67.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.399 0.619 . . . . 0.0 109.538 178.832 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.597 ' HG ' ' CE2' ' A' ' 67' ' ' PHE . 1.2 mp -72.18 -34.02 68.12 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.667 -177.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -71.27 -19.15 62.38 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -82.8 -35.09 26.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.275 174.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -65.46 -50.27 65.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.451 176.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.9 m -150.41 137.61 19.47 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.888 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.2 -27.31 68.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.505 -172.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -99.36 16.0 59.53 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.43 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.79 150.08 26.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.994 0.426 . . . . 0.0 111.049 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.2 mtp-105 -81.87 148.79 28.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.238 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.444 ' HA ' HD13 ' A' ' 68' ' ' LEU . . . -90.27 118.75 30.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.154 173.269 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.5 mp -65.16 137.34 57.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.717 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.525 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 16.9 m -133.87 142.98 48.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.915 0.388 . . . . 0.0 111.665 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.2 t70 57.92 -108.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.359 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.471 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -69.64 -39.82 76.9 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -168.189 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 79' ' ' SER . 3.7 pt-20 -67.9 -34.98 77.69 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.351 -175.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.506 ' O ' ' HB2' ' A' ' 87' ' ' LEU . 3.6 m -67.56 -48.56 66.57 Favored 'General case' 0 C--O 1.216 -0.704 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 173.307 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -54.67 -59.74 4.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.409 -175.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.559 HG11 ' CD1' ' A' ' 25' ' ' PHE . 8.4 p -67.32 -38.81 81.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.534 0.207 . . . . 0.0 111.55 -174.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -71.53 -31.9 67.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.388 . . . . 0.0 110.343 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.755 HD12 HG12 ' A' ' 98' ' ' ILE . 13.6 tp -68.44 -47.39 67.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.467 0.651 . . . . 0.0 109.671 177.074 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -70.04 -17.45 63.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.933 -177.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.48 -29.18 66.01 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.384 0.612 . . . . 0.0 110.224 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.448 ' O ' ' HB3' ' A' ' 102' ' ' GLU . . . -107.83 -53.32 0.67 Allowed Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.842 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.489 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 22.6 t0 -65.96 99.21 0.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.155 0.502 . . . . 0.0 109.744 176.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.4 m -96.92 -16.68 20.56 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.595 -171.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -103.06 -0.46 30.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.955 -175.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.0 53.03 4.37 Favored Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.678 -0.772 . . . . 0.0 114.409 170.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.442 ' CB ' ' HG2' ' A' ' 97' ' ' LYS . 37.1 m-20 -86.68 -21.52 26.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.225 0.512 . . . . 0.0 110.207 176.459 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.52 24.68 60.26 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -173.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.7 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 19.4 ptpt -158.64 175.7 13.31 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -176.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.755 HG12 HD12 ' A' ' 87' ' ' LEU . 5.9 mm -101.31 113.83 38.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.268 0.556 . . . . 0.0 110.969 177.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -71.07 136.04 24.92 Favored Glycine 0 N--CA 1.434 -1.483 0 N-CA-C 107.96 -2.056 . . . . 0.0 107.96 162.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.507 HG13 ' HB3' ' A' ' 48' ' ' PHE . 13.7 t -58.02 -42.77 83.58 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 117.549 0.675 . . . . 0.0 111.337 -174.132 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -71.63 -30.43 65.75 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.996 0.427 . . . . 0.0 110.081 178.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.448 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 29.8 mt-10 -65.31 -35.35 80.74 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.408 177.096 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.442 ' O ' ' HG2' ' A' ' 106' ' ' MET . 57.3 t80 -64.6 -42.43 95.56 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 177.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.4 -37.27 65.51 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.572 175.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.1 -30.31 71.49 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.442 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 6.0 ptp -83.71 -22.31 32.05 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.94 -178.363 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 103' ' ' PHE . 45.0 mt -75.38 -30.25 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 122.31 1.053 . . . . 0.0 109.032 178.088 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.1 tmmt? -94.49 -17.57 22.3 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.147 -1.388 . . . . 0.0 111.006 -177.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.653 -0.689 . . . . 0.0 110.663 179.624 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.559 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.408 HD13 ' HA ' ' A' ' 6' ' ' ILE . 20.8 mm -63.38 -40.77 90.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.509 0.671 . . . . 0.0 109.265 172.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.401 ' O ' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -149.41 135.39 18.88 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.611 170.481 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -94.37 114.59 26.66 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.454 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -55.5 -34.07 64.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.598 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.07 -43.7 94.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.133 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.25 -45.91 78.94 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.106 0.479 . . . . 0.0 111.027 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.14 -44.12 98.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.306 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.4 m -63.9 -34.92 79.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.835 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.27 99.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.987 0.422 . . . . 0.0 110.701 177.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.72 -37.34 82.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.661 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.0 mt -74.18 -18.48 60.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.047 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.67 -35.2 39.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.224 0.535 . . . . 0.0 109.959 173.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.89 -28.97 63.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.603 175.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.6 m -108.21 34.89 3.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.417 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -74.42 -30.02 61.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.869 177.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.21 108.44 3.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.865 175.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -62.69 130.51 45.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.82 -177.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.17 10.97 63.59 Favored Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.9 t -134.06 28.92 3.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.964 0.412 . . . . 0.0 110.263 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -69.89 125.03 25.53 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.523 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.504 ' OD1' ' HB3' ' A' ' 28' ' ' LYS . 13.6 t70 -107.8 92.95 4.28 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 173.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -47.71 -31.63 4.94 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.901 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.621 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . 7.4 ttpm? -72.53 -51.13 21.22 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.689 -176.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.79 -32.7 45.23 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.755 177.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -65.83 -57.34 8.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.602 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.621 ' CE2' ' HA ' ' A' ' 28' ' ' LYS . 1.3 p90 -64.44 -36.53 84.48 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.377 0.608 . . . . 0.0 111.207 -175.083 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.428 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 3.3 t -86.31 -20.41 28.41 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.94 -169.249 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -82.6 -48.83 10.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.867 177.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.402 ' CG2' ' HB2' ' A' ' 36' ' ' LEU . 6.0 m -75.08 -11.71 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.746 -175.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.86 30.46 23.45 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.919 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.461 HD12 ' HG3' ' A' ' 39' ' ' LYS . 11.6 tp -80.21 -23.17 41.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.988 0.423 . . . . 0.0 110.535 -176.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.479 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . . . -68.58 -23.14 64.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.31 -175.092 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -112.52 30.84 6.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.043 0.449 . . . . 0.0 111.349 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.461 ' HG3' HD12 ' A' ' 36' ' ' LEU . 67.7 mmtt -83.69 146.74 28.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.223 0.535 . . . . 0.0 111.202 -179.295 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.8 m -83.36 159.82 60.96 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.433 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -44.67 -43.85 14.32 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.451 2.767 . . . . 0.0 114.475 -174.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.91 -43.75 97.95 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 120.796 0.331 . . . . 0.0 111.747 -176.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.526 ' O ' HG23 ' A' ' 47' ' ' VAL . 9.9 t0 -70.24 -46.48 64.37 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 44' ' ' ILE . 11.4 mm -62.19 -28.29 44.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.848 177.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 21.7 tptm -62.77 -47.32 84.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.904 177.049 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.645 ' O ' HG13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -71.31 -23.55 61.97 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.036 -0.666 . . . . 0.0 110.014 177.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.591 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 91.2 t -64.64 -41.21 91.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 121.186 0.517 . . . . 0.0 109.768 171.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.671 ' CG ' HG13 ' A' ' 100' ' ' VAL . 20.9 m-30 -57.63 -32.51 67.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.569 174.153 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -79.25 -16.3 56.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.312 176.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.645 HG13 ' O ' ' A' ' 46' ' ' LYS . 58.6 mt -72.68 -45.88 56.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.374 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.846 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -66.01 -33.74 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.358 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.409 ' CA ' HG22 ' A' ' 59' ' ' VAL . 42.3 t0 -82.18 56.7 3.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.256 176.126 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -23.22 67.19 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.83 0.348 . . . . 0.0 111.741 -173.622 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -85.16 -16.1 41.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.148 0.499 . . . . 0.0 110.658 175.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.93 62.38 2.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.641 176.014 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 m -120.63 5.05 10.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.423 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 70.64 13.6 7.27 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 114.869 -1.06 . . . . 0.0 110.888 -176.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -132.83 136.25 46.14 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 168.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.846 HG11 ' HB ' ' A' ' 51' ' ' ILE . 58.7 t -120.41 82.73 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.272 -169.255 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -80.79 175.82 10.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.843 0.354 . . . . 0.0 111.731 -176.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -56.27 -37.63 70.08 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 177.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.5 -34.46 69.1 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.173 177.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.546 ' HB3' ' O ' ' A' ' 51' ' ' ILE . 1.1 mp0 -69.52 -44.14 71.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.865 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.551 ' HG ' ' CD2' ' A' ' 87' ' ' LEU . 4.3 mm? -63.64 -19.58 64.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.454 -177.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.447 ' HB2' HD22 ' A' ' 66' ' ' LEU . 28.4 mmtm -63.62 -51.66 64.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.98 0.419 . . . . 0.0 110.601 174.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.447 HD22 ' HB2' ' A' ' 65' ' ' LYS . 1.3 mm? -101.02 5.14 42.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.513 -177.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.531 ' CD1' HG22 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -51.85 -36.91 49.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.5 173.269 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.748 HD22 ' H ' ' A' ' 68' ' ' LEU . 1.7 mm? -63.11 -46.49 87.1 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.068 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.516 ' HA ' ' O ' ' A' ' 72' ' ' SER . 79.3 mt-30 -71.56 -10.52 59.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.787 -178.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.618 ' ND2' ' HA ' ' A' ' 50' ' ' ILE . 60.1 t30 -90.61 -33.17 15.97 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 177.029 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.46 -44.24 62.61 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 174.177 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.516 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 49.0 m -149.78 122.2 8.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.084 175.24 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.52 -28.66 63.66 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -172.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -101.11 58.05 0.68 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.337 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -121.48 163.43 18.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.925 0.393 . . . . 0.0 111.447 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.458 ' H ' ' HD2' ' A' ' 76' ' ' ARG . 0.5 OUTLIER -87.12 142.39 27.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.723 -178.704 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.55 119.0 27.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.635 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.0 mp -64.56 150.21 47.28 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.405 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.0 p -135.7 129.36 32.57 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 113.855 1.058 . . . . 0.0 113.855 -174.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.5 t70 54.38 -98.2 0.08 Allowed 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 114.361 -1.291 . . . . 0.0 113.24 168.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.412 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -66.04 -37.62 86.32 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.748 0.309 . . . . 0.0 111.813 -168.208 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -77.2 -38.81 50.71 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.215 -176.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.552 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 3.0 m -64.71 -37.93 89.28 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 120.776 0.322 . . . . 0.0 110.305 174.27 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -60.06 -58.14 9.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.066 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 81' ' ' ALA . 5.8 p -66.17 -29.43 46.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.072 0.463 . . . . 0.0 110.726 -178.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -70.23 -34.0 72.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.543 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 83' ' ' THR . 77.9 mt -66.83 -48.94 67.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.057 0.456 . . . . 0.0 110.133 174.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -69.16 -17.6 63.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.353 -175.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.16 -27.4 67.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.382 0.611 . . . . 0.0 110.162 174.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.523 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -118.67 -58.78 0.27 Allowed Glycine 0 N--CA 1.441 -1.006 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.574 -178.405 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 11.4 t70 -64.27 107.31 1.29 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.7 p -85.02 -25.62 27.57 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.147 0.498 . . . . 0.0 110.175 -170.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -83.94 -23.92 30.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.148 -178.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 78.17 43.23 13.8 Favored Glycine 0 C--N 1.331 0.292 0 CA-C-N 115.837 -0.62 . . . . 0.0 113.314 172.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.478 ' OD2' ' HG2' ' A' ' 97' ' ' LYS . 7.4 p-10 -98.05 19.64 13.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.914 0.388 . . . . 0.0 111.723 -175.664 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.41 29.01 51.09 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 120.642 -0.789 . . . . 0.0 113.47 173.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.573 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 10.8 ptpt -145.34 177.88 8.5 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-O 121.23 0.538 . . . . 0.0 109.793 -178.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.598 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 9.3 mm -113.56 105.29 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 CA-C-N 114.869 -1.06 . . . . 0.0 108.735 166.22 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.68 138.1 48.41 Favored Glycine 0 N--CA 1.433 -1.558 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 169.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.671 HG13 ' CG ' ' A' ' 48' ' ' PHE . 3.3 t -55.81 -48.21 78.5 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 CA-C-O 120.971 0.415 . . . . 0.0 110.75 -178.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -68.99 -33.54 73.83 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.204 0.526 . . . . 0.0 110.042 176.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.523 ' HB3' ' C ' ' A' ' 90' ' ' GLY . 5.4 mm-40 -59.27 -43.56 92.5 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.551 177.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.598 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . 30.6 t80 -66.3 -45.04 81.76 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.875 -177.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.19 -32.49 60.16 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.858 -0.686 . . . . 0.0 111.694 178.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.77 -32.71 73.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.569 -0.316 . . . . 0.0 111.687 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.5 ptp -81.62 -21.67 38.12 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.666 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.456 HD11 ' CD2' ' A' ' 103' ' ' PHE . 64.1 mt -76.66 -37.65 29.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 122.041 0.924 . . . . 0.0 108.967 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.406 ' HD2' ' C ' ' A' ' 108' ' ' LYS . 0.7 OUTLIER -83.55 -27.55 29.22 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.244 -1.343 . . . . 0.0 109.886 178.854 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.255 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.825 -178.691 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.112 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.6 mt -56.09 -37.74 50.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.503 0.668 . . . . 0.0 109.222 169.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.445 ' HB2' HD13 ' A' ' 12' ' ' ILE . 4.3 pp -125.08 157.58 35.93 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.985 178.097 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -101.82 123.77 46.34 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 172.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -55.11 -30.06 58.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.134 0.492 . . . . 0.0 110.202 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.43 -33.97 63.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.746 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.471 ' OD1' ' HA ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -80.78 -39.23 27.15 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.252 0.548 . . . . 0.0 110.055 -176.611 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.445 HD13 ' HB2' ' A' ' 7' ' ' LEU . 1.4 mp -60.18 -47.05 93.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.321 172.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.5 m -64.17 -31.9 73.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.24 95.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.793 0.33 . . . . 0.0 111.193 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.18 -38.22 75.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.951 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.709 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 92.4 mt -68.95 -23.09 64.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.8 0.333 . . . . 0.0 110.922 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.22 -30.31 48.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.13 0.491 . . . . 0.0 110.25 174.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.83 -30.96 64.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.166 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.709 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 26.7 p -100.84 21.64 13.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.674 177.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -70.88 -34.54 71.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.165 0.507 . . . . 0.0 110.161 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.97 138.53 38.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.532 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -63.17 130.89 46.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.011 0.434 . . . . 0.0 110.42 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.97 -21.19 38.11 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.028 -176.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.4 t -87.57 15.96 6.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.509 0.671 . . . . 0.0 110.053 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.425 ' HA ' ' HB2' ' A' ' 19' ' ' CYS . 81.1 m-85 -80.02 97.12 6.67 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.391 177.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -105.59 92.65 4.28 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -52.32 -34.93 49.32 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.354 0.597 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.527 ' O ' HG22 ' A' ' 32' ' ' THR . 57.1 tttp -76.49 -48.75 18.5 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.506 -176.14 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.459 ' HA ' ' CG2' ' A' ' 32' ' ' THR . . . -60.0 -32.25 70.69 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.102 177.061 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.418 ' O ' HG22 ' A' ' 34' ' ' VAL . 62.1 t80 -55.9 -56.3 22.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.337 174.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.409 ' CD2' ' HA ' ' A' ' 107' ' ' ILE . 26.1 m-85 -63.13 -41.45 99.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.917 -176.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 28' ' ' LYS . 4.8 t -76.45 -21.62 55.67 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.527 -178.079 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -79.84 -48.58 13.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.653 0.263 . . . . 0.0 110.731 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.471 ' HA ' ' OD1' ' A' ' 11' ' ' ASP . 30.1 m -74.5 -12.32 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-O 120.941 0.4 . . . . 0.0 111.194 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.46 19.65 58.11 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.531 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.477 HD11 HG21 ' A' ' 47' ' ' VAL . 17.5 tp -83.17 6.89 17.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.166 0.507 . . . . 0.0 110.793 -176.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.56 -10.49 31.94 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 170.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.91 23.09 11.24 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 121.435 0.636 . . . . 0.0 111.086 -177.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -74.98 173.44 10.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.489 179.764 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.42 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 19.4 m -103.97 160.12 27.12 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.638 171.206 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 40' ' ' SER . 1.3 Cg_endo -44.31 -47.8 10.44 Favored 'Trans proline' 0 CA--C 1.535 0.56 0 C-N-CA 123.315 2.677 . . . . 0.0 114.02 -178.018 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.6 -31.38 72.58 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.726 0.298 . . . . 0.0 111.635 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.671 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 47.1 m-20 -67.85 -42.63 81.1 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 179.143 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.443 HD13 ' HA ' ' A' ' 44' ' ' ILE . 4.9 mm -70.52 -27.79 32.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.786 177.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 4.2 tppp? -60.89 -45.63 93.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.312 . . . . 0.0 110.727 177.033 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.671 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -70.89 -26.38 63.2 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.881 178.392 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.56 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 83.3 t -66.79 -35.78 75.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.901 0.381 . . . . 0.0 110.493 173.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.424 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 18.0 m-30 -57.97 -40.62 81.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.231 0.539 . . . . 0.0 110.219 173.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.91 -27.39 67.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.482 174.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.651 HG12 ' O ' ' A' ' 46' ' ' LYS . 22.7 mm -64.27 -50.09 78.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.537 -175.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.876 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -67.32 -34.9 71.92 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.287 -178.894 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.51 ' HA ' ' HG2' ' A' ' 63' ' ' GLU . 14.0 t0 -82.92 78.78 9.46 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.9 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.58 ' H ' ' HG3' ' A' ' 63' ' ' GLU . 5.5 tp60 -46.39 -46.59 18.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.289 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.37 -12.57 27.66 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.593 -175.608 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.412 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 81.5 tttt 59.92 63.76 1.4 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 122.308 1.051 . . . . 0.0 111.178 -178.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.6 t -105.92 20.21 19.3 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.607 -1.179 . . . . 0.0 109.61 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.9 p30 52.13 17.81 0.75 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.712 1.205 . . . . 0.0 111.856 -175.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -150.05 115.36 5.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.427 176.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.876 HG11 ' HB ' ' A' ' 51' ' ' ILE . 50.3 t -93.75 98.4 8.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.372 -172.353 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.556 ' O ' ' HB2' ' A' ' 63' ' ' GLU . 78.9 mm-40 -84.31 -173.42 4.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.395 -178.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.403 ' HG3' HD11 ' A' ' 87' ' ' LEU . 37.1 tt0 -72.17 -36.07 69.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.149 -0.344 . . . . 0.0 110.677 179.13 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.87 -23.16 67.18 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.114 0.483 . . . . 0.0 109.889 176.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.58 ' HG3' ' H ' ' A' ' 53' ' ' GLN . 0.5 OUTLIER -64.06 -58.82 5.53 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.854 172.178 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.511 ' HG ' ' CD2' ' A' ' 87' ' ' LEU . 4.5 mm? -61.62 -19.42 62.23 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.979 -174.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.608 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -65.05 -57.16 9.37 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.084 0.469 . . . . 0.0 110.739 176.861 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 68.3 mt -103.21 4.71 37.05 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -176.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.52 ' HD2' HG22 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -61.6 -26.85 68.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.959 0.885 . . . . 0.0 108.718 177.828 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 65' ' ' LYS . 1.2 mt -65.84 -37.4 86.12 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.629 -1.169 . . . . 0.0 110.325 178.189 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.505 ' HA ' ' O ' ' A' ' 72' ' ' SER . 83.4 mm-40 -74.67 -14.94 60.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.897 177.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.522 ' HB2' ' OE1' ' A' ' 53' ' ' GLN . 63.9 t30 -85.95 -19.48 30.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.292 174.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -96.83 -33.4 11.67 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.639 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.505 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 13.2 p -163.72 151.65 13.0 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.287 -179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.27 -14.79 39.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.703 0.287 . . . . 0.0 111.73 -176.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -105.1 19.08 41.39 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.42 168.12 19.36 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.015 0.436 . . . . 0.0 111.3 -178.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.507 ' O ' HD13 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -115.51 130.31 56.83 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -178.85 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.477 ' HA ' ' CD1' ' A' ' 68' ' ' LEU . . . -72.74 128.09 34.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.148 0.499 . . . . 0.0 111.595 -178.424 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.41 HD13 HD11 ' A' ' 68' ' ' LEU . 9.4 mp -79.28 149.44 31.82 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.937 177.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 80' ' ' ASP . 8.2 p -177.56 75.68 0.02 OUTLIER 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.341 0.591 . . . . 0.0 111.874 176.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.46 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 18.2 t70 176.69 -145.98 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.447 ' H ' ' CG ' ' A' ' 80' ' ' ASP . . . -66.28 -16.43 64.02 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -177.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -33.02 24.18 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 120.205 -0.598 . . . . 0.0 109.714 -170.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.62 -37.68 85.38 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 171.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.502 ' HA ' ' HE2' ' A' ' 84' ' ' LYS . 11.8 mmpt? -59.05 -59.24 5.79 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.937 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 81' ' ' ALA . 48.9 t -64.9 -39.61 86.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.333 -176.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -68.35 -34.7 76.57 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.625 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.569 HD23 HG12 ' A' ' 98' ' ' ILE . 58.2 mt -67.8 -50.78 55.03 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.802 0.334 . . . . 0.0 110.305 174.15 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -66.35 -17.09 64.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.795 -176.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.37 -31.89 71.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.122 0.487 . . . . 0.0 109.9 172.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.545 ' O ' ' HB3' ' A' ' 102' ' ' GLU . . . -102.6 -49.04 1.22 Allowed Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.379 177.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.662 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 14.1 t0 -59.46 97.74 0.04 OUTLIER 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.022 0.439 . . . . 0.0 110.373 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.8 m -98.94 -8.89 24.84 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.25 0.548 . . . . 0.0 109.594 178.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -87.84 -19.87 26.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.839 -175.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.25 33.04 29.86 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 -173.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.711 ' OD1' ' HG2' ' A' ' 97' ' ' LYS . 3.2 p30 -95.7 -15.74 22.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.493 -0.354 . . . . 0.0 111.653 -175.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.83 27.78 52.65 Favored Glycine 0 N--CA 1.454 -0.155 0 C-N-CA 121.121 -0.562 . . . . 0.0 112.941 175.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.711 ' HG2' ' OD1' ' A' ' 95' ' ' ASP . 10.9 ptpt -148.38 178.13 8.85 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -178.022 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.659 ' O ' ' HB ' ' A' ' 59' ' ' VAL . 16.0 mm -103.32 108.02 23.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.019 0.437 . . . . 0.0 110.717 176.119 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -66.65 137.53 34.63 Favored Glycine 0 N--CA 1.436 -1.354 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 166.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 42.4 t -57.03 -48.76 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 116.997 0.398 . . . . 0.0 110.825 -176.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -69.36 -31.81 70.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.943 0.401 . . . . 0.0 110.438 176.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.545 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 35.4 mt-10 -63.5 -37.04 85.76 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.704 177.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.53 ' O ' HG13 ' A' ' 107' ' ' ILE . 41.0 t80 -65.05 -48.52 73.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.248 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -54.09 -39.49 63.7 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.952 177.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.08 -37.97 89.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.703 -0.248 . . . . 0.0 111.375 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.0 ptp -70.54 -24.93 62.89 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.556 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 103' ' ' PHE . 59.9 mt -75.39 -34.1 29.35 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 CA-C-O 121.935 0.874 . . . . 0.0 109.521 -179.007 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -90.25 -8.72 50.29 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.363 -1.29 . . . . 0.0 111.144 -178.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.833 0 CA-C-O 118.488 -0.767 . . . . 0.0 110.971 179.555 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 111.91 -0.476 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.9 mt -53.66 -51.92 38.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 173.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.523 ' H ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -120.0 137.41 54.1 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.341 173.695 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.463 ' HB2' ' HB2' ' A' ' 11' ' ' ASP . 12.6 m-80 -94.4 114.49 26.54 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 175.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -51.67 -39.48 58.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.81 -178.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.93 -35.4 74.52 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.369 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.463 ' HB2' ' HB2' ' A' ' 8' ' ' ASN . 1.6 t0 -72.4 -48.72 39.26 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.349 0.595 . . . . 0.0 109.829 -177.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -55.23 -53.94 29.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.4 176.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 92.7 m -54.38 -34.85 62.05 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.741 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.4 ' HB3' ' HZ2' ' A' ' 33' ' ' LYS . . . -64.99 -45.88 83.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.185 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.527 ' HB2' ' CD ' ' A' ' 33' ' ' LYS . . . -60.33 -41.64 93.95 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.825 174.252 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.474 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 4.0 mm? -56.82 -45.16 82.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 177.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.58 -25.68 66.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.046 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.66 -43.64 22.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.861 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.474 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 22.7 p -78.75 -8.33 58.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.418 ' HD2' ' O ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -65.25 -38.32 89.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.543 178.38 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.3 114.54 3.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.034 -178.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -60.65 130.14 45.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.506 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.03 -13.06 64.21 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.283 -177.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.1 t -126.8 49.37 2.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.642 0.734 . . . . 0.0 109.867 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.431 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 8.5 p90 -104.84 129.36 53.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.562 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.46 88.63 2.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.579 0.704 . . . . 0.0 110.719 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.616 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 3.6 t60 -68.35 -29.57 68.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.722 -177.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.433 ' O ' HG22 ' A' ' 32' ' ' THR . 65.4 tttp -65.61 -41.59 92.58 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 175.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.483 ' HA ' ' CG2' ' A' ' 32' ' ' THR . . . -62.37 -31.34 71.98 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.991 177.103 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.616 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 61.4 t80 -55.92 -50.25 71.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.618 174.227 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -63.58 -45.94 88.11 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.165 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.483 ' CG2' ' HA ' ' A' ' 29' ' ' ALA . 2.8 t -75.99 -22.73 55.53 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -174.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.527 ' CD ' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -81.48 -35.97 29.87 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 122.284 -0.26 . . . . 0.0 110.727 -179.028 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.5 m -86.61 -12.39 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-O 121.229 0.538 . . . . 0.0 110.52 177.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.08 30.15 43.45 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.379 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.478 HD11 HG21 ' A' ' 47' ' ' VAL . 9.7 tp -76.33 -29.12 57.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 111.147 -176.065 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.14 -17.0 62.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.891 0.377 . . . . 0.0 111.005 -177.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -108.76 26.24 10.79 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.532 ' HD2' ' OD2' ' A' ' 43' ' ' ASP . 38.2 mmtm -89.52 161.72 16.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.114 0.483 . . . . 0.0 111.251 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.0 m -79.53 150.33 73.1 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.045 -178.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -47.55 -55.05 4.3 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.117 2.544 . . . . 0.0 113.935 -176.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.463 ' O ' ' HB3' ' A' ' 45' ' ' LYS . . . -63.54 -30.59 71.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 0.0 111.381 -177.202 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.595 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 33.2 t70 -73.5 -46.56 47.16 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.97 0.414 . . . . 0.0 110.328 178.603 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.45 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 0.1 OUTLIER -63.08 -21.82 29.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.13 0.491 . . . . 0.0 110.209 174.923 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 3.7 tppp? -67.67 -43.88 79.15 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.15 175.519 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.717 ' O ' HG13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -69.59 -24.73 63.72 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.48 176.527 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.589 ' HA ' HD12 ' A' ' 50' ' ' ILE . 98.4 t -63.78 -39.7 86.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 171.352 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.855 ' HA ' HD11 ' A' ' 51' ' ' ILE . 18.7 m-30 -61.03 -29.39 69.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.512 177.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.679 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 7.2 pt-20 -84.5 -15.38 46.13 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.003 176.256 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.717 HG13 ' O ' ' A' ' 46' ' ' LYS . 46.9 mt -71.02 -40.12 75.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.305 177.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.855 HD11 ' HA ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -63.46 -26.89 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 120.091 -0.643 . . . . 0.0 109.542 177.175 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.526 ' HB2' HG22 ' A' ' 59' ' ' VAL . 32.9 t0 -86.09 72.45 10.42 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 175.437 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.424 ' OE1' ' HB3' ' A' ' 66' ' ' LEU . 6.0 tt0 -53.13 -38.3 62.56 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.592 0.711 . . . . 0.0 110.981 -177.272 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -77.09 -19.09 57.49 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.774 -178.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt 56.46 63.08 2.08 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.581 0.705 . . . . 0.0 111.282 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.455 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -123.79 5.53 8.78 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.804 -177.398 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.455 ' HB2' ' O ' ' A' ' 56' ' ' SER . 4.3 m-20 76.79 7.64 3.17 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 124.019 0.824 . . . . 0.0 110.619 -178.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -134.91 121.83 21.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.296 176.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.832 HG11 ' HB ' ' A' ' 51' ' ' ILE . 84.8 t -103.19 111.4 32.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.306 -176.254 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -93.55 -175.5 3.8 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -77.99 -50.17 12.64 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 122.549 0.34 . . . . 0.0 110.871 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -65.32 -21.48 66.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.087 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.71 -37.48 82.31 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.242 171.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.633 ' HA ' ' HB3' ' A' ' 67' ' ' PHE . 0.2 OUTLIER -72.3 -20.26 61.53 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.596 -179.793 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.421 ' O ' HD23 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -64.23 -47.86 78.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.943 0.401 . . . . 0.0 110.547 175.046 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.424 ' HB3' ' OE1' ' A' ' 53' ' ' GLN . 1.9 mp -101.48 4.69 41.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.226 0.536 . . . . 0.0 111.441 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.633 ' HB3' ' HA ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -53.34 -32.6 49.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.46 172.788 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.706 HD22 ' H ' ' A' ' 68' ' ' LEU . 1.9 mm? -66.12 -42.3 89.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.036 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -66.99 -20.33 65.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.032 0.444 . . . . 0.0 110.115 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -83.53 -28.7 28.46 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -78.51 -53.91 6.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.572 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.9 m -152.41 137.89 17.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.701 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.64 -25.95 67.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.813 -174.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -96.51 12.62 66.22 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.814 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.79 137.42 33.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.926 0.393 . . . . 0.0 110.707 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.568 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 30.5 mmt180 -75.97 138.01 40.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.225 -178.209 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.467 ' HA ' HD23 ' A' ' 68' ' ' LEU . . . -68.06 117.32 9.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.001 0.429 . . . . 0.0 110.263 177.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.521 ' HB3' ' HG3' ' A' ' 82' ' ' GLU . 75.5 mt -68.73 113.65 6.39 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.936 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.6 m -125.18 167.19 15.17 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.736 -171.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 63.73 -131.09 0.41 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.278 -0.873 . . . . 0.0 111.541 174.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.65 -26.03 64.21 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.216 -172.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.695 ' O ' ' HB2' ' A' ' 86' ' ' PHE . 11.3 tp10 -57.17 -50.39 72.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 177.404 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.905 ' O ' ' HB3' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -70.48 -51.22 30.58 Favored 'General case' 0 C--O 1.206 -1.223 0 C-N-CA 119.41 -0.916 . . . . 0.0 110.463 177.602 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -50.85 -53.89 28.49 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.321 -0.862 . . . . 0.0 111.45 -176.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.0 t -76.79 -49.02 24.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 120.921 0.391 . . . . 0.0 111.89 -175.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.695 ' HB2' ' O ' ' A' ' 82' ' ' GLU . 24.1 m-85 -87.14 -19.24 28.77 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -169.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.905 ' HB3' ' O ' ' A' ' 83' ' ' THR . 0.0 OUTLIER -80.7 -28.61 36.64 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 170.154 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -78.36 -16.17 57.95 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.5 171.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.6 -37.05 62.62 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.236 0.541 . . . . 0.0 110.544 176.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.639 ' O ' ' HB3' ' A' ' 102' ' ' GLU . . . -87.12 -50.87 3.52 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.233 176.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.484 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 31.4 t0 -60.32 98.74 0.06 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.393 0.616 . . . . 0.0 110.347 -178.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.5 m -92.23 -27.18 17.8 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.023 -171.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -86.94 -7.1 58.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.614 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 64.88 44.18 95.0 Favored Glycine 0 C--N 1.332 0.33 0 CA-C-N 115.218 -0.901 . . . . 0.0 113.119 173.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -96.55 -17.44 20.46 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 121.218 -0.193 . . . . 0.0 111.135 -175.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.02 30.01 5.58 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.16 -1.019 . . . . 0.0 112.961 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 15.7 ptmt -144.29 172.51 12.83 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.661 ' O ' ' HB ' ' A' ' 59' ' ' VAL . 1.8 mm -106.18 104.02 16.35 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 165.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.413 ' HA3' ' HG3' ' A' ' 102' ' ' GLU . . . -64.39 137.32 40.0 Favored Glycine 0 N--CA 1.427 -1.925 0 N-CA-C 108.739 -1.745 . . . . 0.0 108.739 168.005 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.613 HG13 ' CG ' ' A' ' 48' ' ' PHE . 3.2 t -55.93 -43.0 73.38 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 CA-C-O 121.348 0.594 . . . . 0.0 110.47 -179.341 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -69.32 -36.94 77.46 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.342 175.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.639 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 21.6 mt-10 -62.74 -37.32 86.12 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.578 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.502 ' HB2' HG23 ' A' ' 98' ' ' ILE . 47.1 t80 -66.07 -46.39 77.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.803 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.35 -37.76 66.71 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.026 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.66 91.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.589 -0.306 . . . . 0.0 111.429 178.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.9 ptp -72.28 -26.08 61.84 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.656 -177.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.474 HD11 ' CE2' ' A' ' 103' ' ' PHE . 54.9 mt -74.28 -35.18 39.33 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 CA-C-O 121.906 0.86 . . . . 0.0 109.263 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -94.02 -9.33 37.17 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.339 -1.301 . . . . 0.0 111.214 -174.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.632 -0.699 . . . . 0.0 111.026 -179.056 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 N-CA-C 112.18 -0.368 . . . . 0.0 112.18 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.463 ' O ' ' HE3' ' A' ' 39' ' ' LYS . 40.2 mm -65.23 -40.1 87.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 174.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.51 ' O ' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -138.07 144.34 40.89 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.842 178.453 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -86.34 106.61 17.51 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -48.9 -38.73 23.51 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.786 -176.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.0 88.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.688 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.32 -38.58 78.3 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 120.728 0.299 . . . . 0.0 111.321 -177.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.448 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.8 mp -59.55 -51.88 67.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 174.22 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.8 m -54.74 -36.48 64.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.256 176.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.71 -32.6 72.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.884 0.373 . . . . 0.0 111.192 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.12 -42.38 69.31 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 174.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 12' ' ' ILE . 4.5 mm? -59.09 -35.2 72.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.446 174.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.69 -33.68 75.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.358 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.35 -18.39 60.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.959 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 24' ' ' SER . 26.3 p -121.71 30.57 6.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.218 0.532 . . . . 0.0 110.444 177.307 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -77.79 -31.48 51.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.102 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.03 125.95 33.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.479 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.08 130.14 44.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.037 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.97 3.86 87.49 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.396 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.474 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 41.1 t -125.2 68.24 1.13 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.185 0.517 . . . . 0.0 109.866 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -125.11 144.33 50.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.074 -177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.405 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 9.5 t70 -137.08 98.45 3.75 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 173.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.451 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 2.1 p80 -57.25 -32.36 66.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.695 -176.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.482 ' O ' HG22 ' A' ' 32' ' ' THR . 69.7 tttt -79.03 -43.09 24.96 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.193 -174.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.559 ' O ' ' HB2' ' A' ' 33' ' ' LYS . . . -56.69 -36.79 70.04 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.689 174.05 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.451 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 74.1 t80 -55.01 -55.11 34.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.631 175.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.414 ' CD2' ' HA ' ' A' ' 107' ' ' ILE . 16.7 m-85 -66.6 -43.74 84.01 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.648 -176.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 28' ' ' LYS . 9.8 t -73.07 -23.96 60.62 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.507 -176.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.559 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 75.3 tttt -74.79 -46.06 39.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.872 0.368 . . . . 0.0 110.23 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.5 m -84.13 -9.84 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.695 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.16 35.08 31.26 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.329 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.463 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -82.03 -32.76 30.33 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.646 -0.326 . . . . 0.0 111.193 -177.577 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.28 -17.77 64.95 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.266 0.555 . . . . 0.0 110.234 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.38 1.64 41.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.519 178.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HE3' ' O ' ' A' ' 6' ' ' ILE . 38.0 mmtm -70.17 144.02 52.1 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.218 0.532 . . . . 0.0 111.184 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.5 m -79.26 161.63 67.07 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.454 -177.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -44.09 -46.45 11.18 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.165 2.577 . . . . 0.0 113.662 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.01 -44.54 96.51 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.003 0.43 . . . . 0.0 111.37 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.618 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 18.8 m-20 -64.53 -45.7 86.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.277 0.561 . . . . 0.0 109.712 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.432 HG23 ' CE1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -62.84 -32.83 57.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.214 179.405 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 2.9 tppp? -64.86 -44.78 88.63 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 120.677 0.275 . . . . 0.0 111.243 -178.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.649 ' O ' HG13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -67.76 -27.99 67.24 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.133 -0.627 . . . . 0.0 109.559 178.238 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 43' ' ' ASP . 93.2 t -65.67 -40.43 87.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.264 175.549 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.613 ' HA ' HD11 ' A' ' 51' ' ' ILE . 12.8 m-30 -55.29 -34.28 63.98 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.401 174.236 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -81.78 -15.94 52.62 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.081 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.649 HG13 ' O ' ' A' ' 46' ' ' LYS . 60.1 mt -73.41 -40.32 56.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 O-C-N 122.004 -0.435 . . . . 0.0 111.595 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.613 HD11 ' HA ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -66.34 -19.18 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-O 121.641 0.734 . . . . 0.0 109.047 175.687 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.557 ' HB2' HG12 ' A' ' 59' ' ' VAL . 30.7 t0 -100.27 61.47 1.07 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.837 -1.074 . . . . 0.0 108.994 174.178 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.437 HE21 ' HB2' ' A' ' 53' ' ' GLN . 2.0 pt20 -53.64 -35.32 60.86 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.134 0.492 . . . . 0.0 111.392 -174.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.73 ' HB3' ' OE2' ' A' ' 63' ' ' GLU . 6.0 t70 -76.47 -18.97 58.5 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.849 -178.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.3 tptm 64.76 64.8 0.65 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 122.099 0.952 . . . . 0.0 111.493 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.459 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -117.75 1.16 12.14 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.108 -175.71 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 56' ' ' SER . 4.1 m-20 74.41 -1.41 3.08 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.754 0.822 . . . . 0.0 110.764 -176.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -139.3 129.08 24.74 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.728 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 0.7 OUTLIER -99.8 122.72 51.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.447 0.641 . . . . 0.0 110.316 -177.59 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -94.75 179.54 5.21 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.853 176.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -69.84 -40.92 75.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.789 0.328 . . . . 0.0 110.703 178.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -60.56 -30.64 69.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.326 178.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.73 ' OE2' ' HB3' ' A' ' 54' ' ' ASP . 49.4 mt-10 -73.82 -34.8 64.72 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.684 176.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.644 ' HG ' HD21 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -69.04 -27.1 65.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.995 0.426 . . . . 0.0 110.804 177.03 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.449 ' HB3' HD22 ' A' ' 66' ' ' LEU . 11.4 mptt -62.86 -52.87 61.43 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.776 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.485 HD12 ' NE2' ' A' ' 69' ' ' GLN . 1.3 mm? -100.32 6.7 44.62 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 -178.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.46 ' CD1' HG22 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -49.44 -36.36 22.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.491 0.662 . . . . 0.0 109.3 170.331 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.671 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.3 mm? -62.67 -45.65 91.83 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.295 178.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.485 ' NE2' HD12 ' A' ' 66' ' ' LEU . 79.4 mt-30 -72.27 -8.37 54.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.762 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -95.66 -23.54 16.97 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -80.84 -48.19 12.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.137 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.5 m -150.3 144.05 25.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.717 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.64 -21.58 63.54 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -168.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -105.55 2.24 39.52 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.25 -0.976 . . . . 0.0 112.591 -177.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.09 142.89 56.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.03 0.443 . . . . 0.0 111.385 -176.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.538 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 21.7 mmt180 -82.31 147.74 28.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.259 -176.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.66 127.82 34.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.886 0.374 . . . . 0.0 110.94 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.4 mp -77.11 141.23 40.3 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.349 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.615 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 53.5 m -143.21 167.98 20.84 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.718 -0.219 . . . . 0.0 110.476 176.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 59.93 -130.85 0.97 Allowed 'General case' 0 C--O 1.236 0.342 0 O-C-N 123.432 0.458 . . . . 0.0 111.407 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.23 -33.15 73.86 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.191 -170.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.615 ' HG2' ' O ' ' A' ' 79' ' ' SER . 1.9 pm0 -67.4 -25.41 65.93 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.161 -175.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.597 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 1.5 m -78.48 -45.85 21.1 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.06 -0.656 . . . . 0.0 109.56 174.36 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -64.19 -46.18 85.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.348 -175.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.8 t -70.65 -37.81 70.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.81 0.338 . . . . 0.0 110.344 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -63.72 -36.55 84.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.473 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.706 ' HA ' HD11 ' A' ' 98' ' ' ILE . 97.7 mt -64.38 -51.19 64.5 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 174.151 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -62.23 -17.15 57.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.411 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.4 -31.51 72.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.773 0.321 . . . . 0.0 110.744 177.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -121.72 -43.36 0.42 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.495 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.525 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 24.6 t0 -66.79 112.94 4.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.951 0.405 . . . . 0.0 110.405 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.4 t -98.14 -7.7 29.01 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.06 -175.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.76 -21.23 18.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.579 -174.269 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 78.83 36.19 29.43 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.385 -177.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -79.2 -20.4 48.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.087 0.47 . . . . 0.0 110.166 -176.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.51 28.94 41.59 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 -171.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.728 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 6.8 ptmt -143.15 174.5 10.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.753 -0.723 . . . . 0.0 109.494 -171.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.706 HD11 ' HA ' ' A' ' 87' ' ' LEU . 25.0 mm -115.14 105.31 18.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 167.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.55 137.21 50.41 Favored Glycine 0 N--CA 1.436 -1.358 0 N-CA-C 108.403 -1.879 . . . . 0.0 108.403 167.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.5 m -55.08 -46.71 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.113 0 CA-C-N 117.774 0.787 . . . . 0.0 111.57 -173.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -78.8 -17.56 55.54 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.275 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.413 ' CD ' ' HA ' ' A' ' 91' ' ' ASP . 25.9 mt-10 -68.83 -36.25 77.96 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 172.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.661 ' CE2' HD11 ' A' ' 107' ' ' ILE . 23.6 t80 -64.69 -48.58 74.18 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.086 178.316 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.63 -36.62 65.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.106 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.79 -36.95 83.58 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.529 0.196 . . . . 0.0 111.529 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.413 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 5.4 ptp -74.28 -24.56 59.27 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.705 -178.101 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.661 HD11 ' CE2' ' A' ' 103' ' ' PHE . 64.7 mt -78.81 -31.84 15.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.639 0.733 . . . . 0.0 109.794 -178.269 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.85 -12.61 41.38 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.728 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.735 -0.65 . . . . 0.0 111.413 -178.784 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.436 0 N-CA-C 112.399 -0.281 . . . . 0.0 112.399 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.0 mt -67.87 -34.78 69.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.456 ' H ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -138.97 157.93 45.12 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.347 175.592 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -100.96 137.58 39.15 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -53.82 -38.35 64.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.438 0.637 . . . . 0.0 109.527 174.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.07 -46.15 65.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.19 -177.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.431 ' OD1' ' HA ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -72.76 -41.41 65.12 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.06 0.457 . . . . 0.0 110.757 -174.282 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.463 HD12 HG22 ' A' ' 34' ' ' VAL . 1.4 tp -60.94 -39.26 81.48 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.995 177.539 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.3 m -75.9 -33.84 59.93 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.919 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.17 -51.64 68.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.877 0.37 . . . . 0.0 110.981 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.444 ' HB2' ' HG3' ' A' ' 33' ' ' LYS . . . -63.71 -44.29 94.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.813 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.682 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 88.8 mt -67.58 -19.02 65.2 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.489 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.66 -34.08 40.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.582 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.76 -34.55 58.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.461 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.682 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 29.4 p -94.09 26.37 3.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -78.93 -12.21 60.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.232 0.539 . . . . 0.0 109.684 177.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.429 ' HB3' ' HB2' ' A' ' 24' ' ' SER . . . -77.26 124.52 27.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.152 176.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -57.82 113.23 1.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.605 -175.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.78 0.22 66.74 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.049 -0.595 . . . . 0.0 112.562 176.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.429 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 33.1 m -113.36 79.61 1.26 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.1 0.476 . . . . 0.0 110.668 -179.009 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -115.35 110.23 19.07 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.89 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.4 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 5.6 p-10 -83.15 80.74 8.96 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.073 0.464 . . . . 0.0 109.998 178.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.465 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 36.1 p-80 -53.34 -46.58 69.56 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.948 -173.067 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.402 ' O ' HG22 ' A' ' 32' ' ' THR . 84.2 tttt -73.37 -48.93 30.13 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.817 -173.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.511 ' HA ' ' CG2' ' A' ' 32' ' ' THR . . . -61.64 -31.0 71.07 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.043 176.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.698 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 80.4 t80 -54.7 -53.38 55.72 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.315 0.384 . . . . 0.0 110.74 177.094 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.425 ' CD2' ' HA ' ' A' ' 107' ' ' ILE . 56.1 m-85 -67.22 -34.53 77.68 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -176.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.511 ' CG2' ' HA ' ' A' ' 29' ' ' ALA . 4.9 t -81.76 -24.61 35.94 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.69 -178.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.556 ' HG2' ' O ' ' A' ' 30' ' ' PHE . 12.9 ptmt -85.74 -21.67 28.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.41 0.624 . . . . 0.0 109.779 176.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.698 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -90.75 -16.95 8.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.373 -179.755 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.26 8.51 64.38 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.902 -0.666 . . . . 0.0 113.09 176.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.435 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 16.1 tp -87.1 6.99 29.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.213 0.53 . . . . 0.0 110.577 -177.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.35 -14.42 26.9 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 172.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -124.42 31.93 5.62 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.635 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.495 ' HE2' HD12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -83.97 179.54 7.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.754 178.79 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 m -101.03 153.39 37.76 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 171.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -45.55 -46.28 14.9 Favored 'Trans proline' 0 C--O 1.237 0.46 0 C-N-CA 123.211 2.607 . . . . 0.0 114.014 -175.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.94 -32.97 74.69 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.591 ' O ' HG23 ' A' ' 47' ' ' VAL . 24.6 m-20 -63.31 -48.14 79.3 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.123 0.487 . . . . 0.0 109.729 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.495 HD12 ' HE2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -63.64 -27.98 44.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.493 179.441 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 20.8 tptm -64.22 -46.45 83.83 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.939 0.399 . . . . 0.0 110.595 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.69 ' O ' HG13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -72.12 -24.1 61.42 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.401 179.533 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.615 ' HA ' HD12 ' A' ' 50' ' ' ILE . 59.8 t -67.35 -35.97 75.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 173.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.68 ' HA ' HD11 ' A' ' 51' ' ' ILE . 17.5 m-30 -58.21 -38.67 77.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.751 174.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.587 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 4.8 pt-20 -77.29 -14.04 59.82 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.662 178.342 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.69 HG13 ' O ' ' A' ' 46' ' ' LYS . 60.0 mt -71.7 -46.01 63.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 119.132 -0.461 . . . . 0.0 112.23 177.312 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.68 HD11 ' HA ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -61.51 -20.61 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-O 121.458 0.647 . . . . 0.0 109.662 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.442 ' HB2' HG12 ' A' ' 59' ' ' VAL . 15.7 t0 -104.16 76.8 1.37 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.083 -0.962 . . . . 0.0 108.695 173.066 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.541 ' OE1' ' HB2' ' A' ' 66' ' ' LEU . 18.6 pt20 -56.4 -37.13 69.72 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.35 0.595 . . . . 0.0 110.489 -176.17 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.748 ' HB3' ' OE2' ' A' ' 63' ' ' GLU . 6.0 t70 -79.03 -19.81 50.53 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.107 176.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt 56.97 63.43 1.93 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 122.41 1.1 . . . . 0.0 110.901 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -92.22 2.66 56.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 113.977 -1.465 . . . . 0.0 110.098 179.391 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.493 ' HB2' ' O ' ' A' ' 56' ' ' SER . 9.1 m-20 75.04 3.64 4.16 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.761 -171.526 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -148.33 129.78 14.84 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.259 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.679 ' CG2' ' H ' ' A' ' 98' ' ' ILE . 0.9 OUTLIER -88.94 126.91 41.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.72 0.771 . . . . 0.0 110.114 -175.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -93.3 161.64 14.32 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.141 176.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -69.04 -40.31 78.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 118.465 0.575 . . . . 0.0 110.668 -176.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -65.36 -27.09 68.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.042 0.449 . . . . 0.0 110.05 178.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.748 ' OE2' ' HB3' ' A' ' 54' ' ' ASP . 96.5 mt-10 -72.15 -45.02 62.14 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.136 174.263 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.584 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 0.3 OUTLIER -67.62 -18.95 65.16 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.288 0.566 . . . . 0.0 110.591 -178.791 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.544 ' O ' HD12 ' A' ' 68' ' ' LEU . 10.3 mptt -63.56 -53.63 48.73 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.198 0.523 . . . . 0.0 110.213 173.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.541 ' HB2' ' OE1' ' A' ' 53' ' ' GLN . 36.2 mt -100.82 5.82 43.59 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.838 -174.121 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.606 ' HD2' HG22 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -58.92 -26.37 64.28 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 176.336 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 65' ' ' LYS . 2.7 mt -63.14 -45.0 94.0 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.385 178.028 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.559 ' HA ' ' O ' ' A' ' 72' ' ' SER . 44.0 mt-30 -72.79 -14.69 61.58 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.132 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.451 ' HB3' ' O ' ' A' ' 67' ' ' PHE . 2.3 t-20 -80.32 -25.95 39.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.067 176.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.483 ' HB2' HG21 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -89.59 -47.46 7.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.452 176.578 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.559 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 71.1 m -147.23 128.39 14.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.024 178.335 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.42 -22.56 66.23 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -173.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -97.3 48.8 1.53 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.575 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -122.1 150.88 41.54 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.693 -0.298 . . . . 0.0 111.225 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.45 ' O ' HD13 ' A' ' 68' ' ' LEU . 1.4 mpt_? -96.27 136.41 36.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.223 178.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.493 ' HA ' ' CD1' ' A' ' 68' ' ' LEU . . . -78.79 125.12 28.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.86 0.362 . . . . 0.0 111.211 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.414 HD22 ' H ' ' A' ' 78' ' ' LEU . 1.6 mm? -76.42 150.13 36.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.721 177.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.6 m -144.3 145.79 32.22 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.955 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 72.12 -126.84 0.05 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.632 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.2 -30.72 71.27 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -168.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -71.67 -40.24 69.74 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.092 -177.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.7 m -73.62 -37.23 65.45 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 174.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -55.99 -59.32 5.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.069 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.16 -39.98 85.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.172 -177.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -65.77 -37.97 87.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.486 HD23 HG12 ' A' ' 98' ' ' ILE . 77.3 mt -64.22 -48.0 77.52 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 174.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -65.49 -16.84 64.06 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -176.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.3 -34.66 72.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.37 0.605 . . . . 0.0 109.989 173.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.495 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -106.52 -53.82 0.71 Allowed Glycine 0 N--CA 1.443 -0.896 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.168 176.483 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.678 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 20.9 t0 -59.92 101.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 122.889 0.476 . . . . 0.0 110.474 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 17.4 t -97.02 -24.02 15.99 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.165 0.507 . . . . 0.0 110.496 -175.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -86.85 -9.36 55.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.026 -175.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.64 53.03 4.18 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 121.125 -0.56 . . . . 0.0 114.172 171.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.488 ' OD1' ' HG2' ' A' ' 97' ' ' LYS . 3.5 p30 -108.88 -22.31 12.25 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.92 0.36 . . . . 0.0 111.739 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.15 25.66 21.15 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.674 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.678 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 11.1 ptmt -136.86 174.95 10.07 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 177.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.679 ' H ' ' CG2' ' A' ' 59' ' ' VAL . 11.8 mm -109.0 108.38 25.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 C-N-CA 120.085 -0.646 . . . . 0.0 109.949 172.288 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -59.5 137.29 50.03 Favored Glycine 0 N--CA 1.431 -1.667 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 167.228 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.574 HG13 ' CG ' ' A' ' 48' ' ' PHE . 15.2 t -56.84 -38.92 61.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 CA-C-O 121.381 0.61 . . . . 0.0 110.675 -177.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -73.13 -33.32 65.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.225 175.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.495 ' HB3' ' C ' ' A' ' 90' ' ' GLY . 6.2 mm-40 -59.78 -40.9 89.81 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.081 175.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.606 ' CE2' HD11 ' A' ' 107' ' ' ILE . 22.5 t80 -64.51 -52.33 58.37 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.94 -177.106 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -53.8 -37.97 58.52 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.169 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.38 -33.87 71.92 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.9 ptp -74.04 -26.08 60.21 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.723 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.606 HD11 ' CE2' ' A' ' 103' ' ' PHE . 78.4 mt -74.56 -43.24 48.54 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.584 0 CA-C-O 122.038 0.923 . . . . 0.0 109.228 -177.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.442 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 0.3 OUTLIER -81.41 -27.28 34.83 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.04 -1.436 . . . . 0.0 109.986 179.642 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.148 -0.93 . . . . 0.0 111.279 179.513 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.331 0 CA-C-O 120.401 -0.111 . . . . 0.0 113.169 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.2 mm -65.02 -31.28 53.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.689 0.757 . . . . 0.0 109.388 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.446 ' O ' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -144.49 145.29 31.79 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.14 175.766 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.409 ' HB2' ' HB2' ' A' ' 11' ' ' ASP . 76.7 m-20 -93.36 110.18 21.73 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -52.37 -37.09 55.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.035 -176.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.13 96.57 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.631 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.409 ' HB2' ' HB2' ' A' ' 8' ' ' ASN . 1.4 t0 -69.88 -45.37 67.79 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.35 0.595 . . . . 0.0 109.894 -177.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.453 HG12 ' CD1' ' A' ' 71' ' ' PHE . 1.8 mp -55.35 -52.96 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.228 174.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.3 m -57.91 -32.48 67.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.517 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.48 -53.05 61.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.824 0.345 . . . . 0.0 110.74 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.512 ' HB2' ' CD ' ' A' ' 33' ' ' LYS . . . -58.59 -38.55 78.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.215 175.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 16' ' ' LEU . 3.4 mm? -59.25 -41.44 88.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.862 0.363 . . . . 0.0 110.93 176.409 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.2 -23.0 65.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.871 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.5 -29.76 30.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.346 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.7 p -110.92 30.37 6.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.16 0.505 . . . . 0.0 111.506 -178.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -82.96 18.07 1.74 Allowed 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 120.979 0.419 . . . . 0.0 111.073 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.83 130.89 20.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.347 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.35 131.72 46.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.989 0.423 . . . . 0.0 109.955 178.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.79 -24.07 33.62 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -170.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.2 t -109.83 38.55 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 176.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.59 ' HB2' ' OE2' ' A' ' 82' ' ' GLU . 22.7 p90 -96.53 122.22 39.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.858 -177.265 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.38 83.54 1.97 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.586 0.708 . . . . 0.0 110.529 177.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.56 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 6.1 p-80 -68.93 -31.98 71.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.532 -178.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.468 ' O ' HG22 ' A' ' 32' ' ' THR . 65.1 tttp -66.84 -41.61 87.12 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.018 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.472 ' HA ' ' CG2' ' A' ' 32' ' ' THR . . . -59.65 -32.52 70.53 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.374 175.444 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.654 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 83.5 t80 -57.24 -52.5 65.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.064 177.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -68.06 -37.98 81.91 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.504 -177.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.472 ' CG2' ' HA ' ' A' ' 29' ' ' ALA . 8.2 t -79.62 -26.14 41.24 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -174.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -77.34 -28.64 53.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.465 0.65 . . . . 0.0 109.332 176.145 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.654 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -94.01 -21.99 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.807 -169.911 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.55 22.35 34.43 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.298 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.494 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 10.0 tp -84.31 -20.27 32.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.686 0.279 . . . . 0.0 111.328 -176.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.459 ' HA ' HG22 ' A' ' 107' ' ' ILE . . . -79.91 -13.6 59.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.903 0.383 . . . . 0.0 111.121 -176.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -113.97 38.01 3.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.312 0.577 . . . . 0.0 110.038 176.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.468 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 48.9 mmtt -94.89 158.52 15.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.527 0.679 . . . . 0.0 112.436 -176.607 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.9 m -89.27 163.51 33.71 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.178 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -48.4 -50.54 11.99 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.221 2.614 . . . . 0.0 113.897 -175.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.09 -34.77 78.31 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.897 0.38 . . . . 0.0 111.68 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.572 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 1.3 m-20 -67.95 -50.65 54.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.348 0.594 . . . . 0.0 109.411 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 44' ' ' ILE . 16.4 mm -66.79 -28.47 43.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.98 179.295 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 21.3 tptm -59.86 -48.33 82.14 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.342 0.591 . . . . 0.0 110.797 177.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.706 ' O ' HG13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -73.87 -20.71 60.34 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.004 179.213 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.573 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 73.6 t -68.31 -39.4 80.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.004 0.43 . . . . 0.0 109.842 172.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.592 ' CG ' HG13 ' A' ' 100' ' ' VAL . 19.8 m-30 -52.99 -41.35 64.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.54 173.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.684 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 7.2 pt-20 -79.95 -14.94 58.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.27 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.706 HG13 ' O ' ' A' ' 46' ' ' LYS . 66.0 mt -67.06 -49.32 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.679 176.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.778 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -62.3 -36.9 76.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 177.77 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -83.85 64.64 8.19 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.301 176.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.552 HE21 ' HA ' ' A' ' 63' ' ' GLU . 15.8 pt20 -57.58 -30.46 65.29 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.407 0.622 . . . . 0.0 110.854 -173.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -80.85 -19.62 44.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.811 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.8 tptp 59.8 63.77 1.42 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 122.899 0.48 . . . . 0.0 111.377 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.39 13.4 3.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.13 -177.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.3 t70 74.28 -2.96 2.66 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.669 0.788 . . . . 0.0 111.435 178.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -118.93 138.68 52.61 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 173.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.778 HG11 ' HB ' ' A' ' 51' ' ' ILE . 43.3 t -129.1 88.42 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -174.401 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.531 ' HG2' ' H ' ' A' ' 61' ' ' GLU . 21.9 tt0 -87.32 172.89 9.52 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 122.461 -0.149 . . . . 0.0 110.9 -176.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.531 ' H ' ' HG2' ' A' ' 60' ' ' GLU . 40.2 tt0 -57.49 -43.62 84.26 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -175.176 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -55.9 -30.62 61.87 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.907 0.384 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.552 ' HA ' HE21 ' A' ' 53' ' ' GLN . 36.1 mt-10 -69.78 -39.91 76.35 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.759 177.017 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.553 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 3.5 mp -69.82 -18.91 63.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.89 0.376 . . . . 0.0 111.729 178.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.622 ' O ' HD12 ' A' ' 68' ' ' LEU . 1.5 mptm? -65.41 -49.15 70.31 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.075 0.465 . . . . 0.0 110.19 174.216 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.3 mt -104.09 3.34 33.05 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -177.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.627 ' HD2' HG22 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -65.91 -26.02 67.42 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 175.919 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.622 HD12 ' O ' ' A' ' 65' ' ' LYS . 1.6 mt -67.73 -38.82 84.08 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 114.07 -1.423 . . . . 0.0 109.911 176.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' ' 72' ' ' SER . 19.5 mm-40 -69.2 -17.33 63.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.121 177.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -80.42 -41.52 24.37 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 173.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.453 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -62.04 -48.62 79.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.335 176.752 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 47.9 t -146.87 137.3 23.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.51 177.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.4 -1.95 29.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.739 -177.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -118.75 28.88 6.53 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.952 177.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.41 158.98 16.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.028 0.442 . . . . 0.0 111.172 -177.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.407 ' O ' HD13 ' A' ' 68' ' ' LEU . 34.2 mmt180 -102.73 142.96 33.01 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.012 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.28 118.15 17.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.087 0.47 . . . . 0.0 110.937 -178.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.96 152.28 44.9 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.733 176.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.5 m -145.46 164.39 31.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.011 0.434 . . . . 0.0 111.843 -173.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 56.55 -131.55 1.63 Allowed 'General case' 0 C--O 1.237 0.412 0 CA-C-N 114.969 -1.014 . . . . 0.0 112.417 172.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.14 -26.69 68.46 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.388 -170.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.59 ' OE2' ' HB2' ' A' ' 25' ' ' PHE . 4.9 tp10 -63.41 -65.46 0.68 Allowed 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.589 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -60.68 -31.61 70.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.59 0.233 . . . . 0.0 110.971 -176.594 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -51.71 37.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.808 0.337 . . . . 0.0 110.968 -177.107 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 99.6 t -71.28 -36.38 61.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.201 0.524 . . . . 0.0 110.064 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -62.7 -35.56 80.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.469 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.615 HD23 HG12 ' A' ' 98' ' ' ILE . 53.1 mt -61.02 -47.96 83.99 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.737 0.303 . . . . 0.0 110.307 172.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.413 ' HA ' ' HB3' ' A' ' 91' ' ' ASP . 32.1 mmtp -69.57 -19.28 63.68 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -176.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.64 -26.0 66.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.142 0.496 . . . . 0.0 110.12 173.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.575 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -120.23 8.84 11.22 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.956 178.145 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.413 ' HB3' ' HA ' ' A' ' 88' ' ' LYS . 41.2 t0 -107.67 99.04 8.56 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 167.266 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.425 ' H ' ' CD ' ' A' ' 102' ' ' GLU . 24.2 m -93.46 -21.52 19.44 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.235 0.54 . . . . 0.0 110.714 -174.442 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -95.25 -17.55 21.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.38 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.11 52.1 4.74 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.851 175.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -106.16 -2.69 22.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.554 0.216 . . . . 0.0 111.191 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.34 30.15 10.34 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 120.775 -0.726 . . . . 0.0 113.357 173.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 11.5 pttm -156.93 170.75 21.79 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -174.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.615 HG12 HD23 ' A' ' 87' ' ' LEU . 20.0 mm -89.16 124.27 41.82 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 169.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.418 ' HA3' ' HG3' ' A' ' 102' ' ' GLU . . . -85.73 136.09 13.99 Favored Glycine 0 N--CA 1.433 -1.558 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 172.297 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.592 HG13 ' CG ' ' A' ' 48' ' ' PHE . 2.9 t -56.48 -49.87 75.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-O 120.859 0.362 . . . . 0.0 110.682 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -66.65 -29.89 70.03 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.135 0.493 . . . . 0.0 110.828 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.575 ' HB2' ' O ' ' A' ' 90' ' ' GLY . 13.0 mt-10 -77.27 -33.14 55.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.77 -176.144 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.575 ' O ' ' HB3' ' A' ' 106' ' ' MET . 47.0 t80 -72.78 -35.04 67.34 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 122.846 0.458 . . . . 0.0 110.42 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.35 -47.52 90.39 Favored Glycine 0 C--O 1.237 0.324 0 C-N-CA 120.169 -1.015 . . . . 0.0 110.92 174.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.89 -23.91 66.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.255 -0.473 . . . . 0.0 110.253 175.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.575 ' HB3' ' O ' ' A' ' 103' ' ' PHE . 10.9 ttm -66.26 -48.9 68.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.296 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.485 HD11 ' CE2' ' A' ' 103' ' ' PHE . 45.5 mt -69.99 -34.39 59.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.968 0.89 . . . . 0.0 109.263 -174.291 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.437 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 4.9 tmmm? -77.96 -25.26 48.09 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.271 -1.331 . . . . 0.0 110.93 -178.123 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.441 -0.79 . . . . 0.0 111.369 -178.017 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.183 0 N-CA-C 113.18 0.032 . . . . 0.0 113.18 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.0 mt -68.31 -38.23 79.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.823 0.82 . . . . 0.0 108.835 172.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.506 ' H ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -136.79 147.72 46.79 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.3 178.454 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -101.09 114.35 28.21 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.714 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.65 -29.42 64.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.754 -176.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.76 -41.48 95.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.187 176.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.78 -40.15 79.81 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.012 0.434 . . . . 0.0 110.495 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.508 HG12 ' CE2' ' A' ' 71' ' ' PHE . 1.8 mp -59.41 -47.09 91.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.908 174.138 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.4 m -62.28 -36.27 81.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.892 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.83 -52.99 62.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.988 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.87 82.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.592 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.418 HD13 ' CB ' ' A' ' 75' ' ' ALA . 39.4 mt -70.46 -42.57 71.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.525 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.67 -17.14 61.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.108 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.76 -33.83 71.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.037 0.446 . . . . 0.0 110.439 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 24' ' ' SER . 35.3 m -127.08 41.96 3.42 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.826 -174.18 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -81.37 53.73 2.14 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.073 0.463 . . . . 0.0 111.712 -176.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.15 139.66 17.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.494 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.53 122.51 14.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.401 178.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.579 ' H ' ' CD ' ' A' ' 82' ' ' GLU . . . 99.49 -5.56 58.75 Favored Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.544 -177.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.455 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 21.6 t -118.28 -16.59 9.65 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -175.6 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -56.94 121.45 9.95 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.95 0.405 . . . . 0.0 111.834 -176.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.463 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 13.9 m-20 -105.8 93.89 4.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.88 178.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -61.05 -36.27 79.13 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.816 0.817 . . . . 0.0 110.796 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.503 ' HG3' ' CE2' ' A' ' 31' ' ' PHE . 87.0 tttt -76.21 -49.53 16.91 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 114.617 -1.174 . . . . 0.0 110.027 -175.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.463 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . . . -56.06 -34.79 66.26 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.219 176.37 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.666 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 91.9 t80 -57.34 -59.55 4.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.071 177.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.503 ' CE2' ' HG3' ' A' ' 28' ' ' LYS . 1.2 p90 -60.28 -37.52 80.73 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.309 0.576 . . . . 0.0 111.38 -174.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.471 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 11.2 t -87.22 -29.12 21.95 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.588 -169.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -81.17 -30.21 34.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.797 0.808 . . . . 0.0 109.547 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.666 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -78.19 -35.57 20.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 114.185 -1.37 . . . . 0.0 111.261 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.71 16.07 27.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.647 -177.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.458 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 11.5 tp -74.26 -15.14 60.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.13 0.49 . . . . 0.0 110.367 -175.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.541 ' HA ' HG22 ' A' ' 107' ' ' ILE . . . -76.31 -5.39 46.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.543 -178.452 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -118.62 29.31 7.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.728 ' HD3' ' OD2' ' A' ' 43' ' ' ASP . 11.3 mmpt? -84.06 135.59 34.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.917 0.389 . . . . 0.0 110.156 178.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.2 m -70.31 156.5 91.77 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.119 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -45.42 -53.94 4.94 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.109 2.54 . . . . 0.0 113.769 -177.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 45' ' ' LYS . . . -69.08 -26.56 64.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.296 0.57 . . . . 0.0 111.229 -178.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.728 ' OD2' ' HD3' ' A' ' 39' ' ' LYS . 25.1 t0 -74.91 -37.04 62.18 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.299 0.571 . . . . 0.0 109.534 178.067 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.437 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 4.1 mm -66.7 -24.18 32.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.892 170.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.61 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 4.1 tppp? -69.63 -36.05 75.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.671 177.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.607 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -74.93 -22.33 58.66 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 119.447 -0.901 . . . . 0.0 109.403 173.679 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.57 ' HA ' HD12 ' A' ' 50' ' ' ILE . 95.5 t -68.81 -33.82 61.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 171.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.61 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -51.55 -49.31 62.28 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.895 168.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -61.85 -21.17 64.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.65 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 47' ' ' VAL . 64.9 mt -73.16 -54.4 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.209 175.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.816 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -67.65 -30.57 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 118.804 0.729 . . . . 0.0 109.345 177.858 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.416 ' HB2' HG22 ' A' ' 59' ' ' VAL . 26.5 t0 -84.15 74.32 10.3 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.427 176.243 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.406 ' OE1' ' HB2' ' A' ' 66' ' ' LEU . 64.6 tt0 -56.18 -36.87 68.84 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.448 0.642 . . . . 0.0 110.761 -176.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -82.47 -19.19 39.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.845 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.489 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 52.6 tptt 59.12 67.69 0.89 Allowed 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 121.929 0.871 . . . . 0.0 112.139 172.581 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.1 p -142.05 23.53 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.904 176.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.1 t70 78.54 -1.46 2.44 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.907 0.883 . . . . 0.0 111.509 174.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -121.98 121.01 36.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.864 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.816 HG11 ' HB ' ' A' ' 51' ' ' ILE . 77.9 t -107.56 96.35 4.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.779 0.323 . . . . 0.0 111.202 -176.178 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.434 ' O ' HD12 ' A' ' 64' ' ' LEU . 45.0 mt-10 -93.14 176.13 6.52 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -70.82 -39.38 73.08 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -175.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -58.49 -31.61 68.02 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 67' ' ' PHE . 44.4 mt-10 -69.2 -55.21 11.26 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.243 173.071 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.508 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 0.5 OUTLIER -60.17 -18.53 48.63 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -176.709 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.495 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -68.44 -49.38 60.36 Favored 'General case' 0 N--CA 1.435 -1.224 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.286 174.402 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.406 ' HB2' ' OE1' ' A' ' 53' ' ' GLN . 30.9 mt -103.59 -1.02 28.9 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -175.196 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.523 ' CD2' HG22 ' A' ' 50' ' ' ILE . 1.5 p90 -59.86 -29.36 68.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.776 0.798 . . . . 0.0 109.058 -176.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -67.59 -45.34 75.8 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.283 -179.704 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -74.18 -8.09 54.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.018 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -91.58 -32.55 15.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.312 173.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.508 ' CE2' HG12 ' A' ' 12' ' ' ILE . 5.9 t80 -72.82 -51.12 20.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.558 178.256 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.8 m -141.27 151.19 43.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.108 0.48 . . . . 0.0 110.771 -178.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.65 -20.98 49.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.774 -175.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -98.16 25.12 28.98 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.03 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.418 ' CB ' HD13 ' A' ' 16' ' ' LEU . . . -95.56 150.2 20.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.974 0.416 . . . . 0.0 111.393 -178.264 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -107.46 138.83 42.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.777 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -78.89 125.88 29.96 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 176.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.3 mp -77.3 150.78 35.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.786 -178.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.459 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 25.2 m -143.08 158.93 43.15 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.986 176.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.453 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 9.8 m-20 63.06 -140.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.501 0.501 . . . . 0.0 111.246 176.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.29 -20.22 65.28 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -171.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.579 ' CD ' ' H ' ' A' ' 23' ' ' GLY . 6.0 mm-40 -60.94 -53.47 56.83 Favored 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -177.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.587 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 1.4 m -64.71 -36.48 84.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.418 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 80' ' ' ASP . 11.6 mmpt? -58.44 -58.94 6.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.929 0.395 . . . . 0.0 110.439 -179.037 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.7 -36.2 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.74 -178.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -58.89 -42.28 89.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.21 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 83' ' ' THR . 96.9 mt -70.06 -50.36 41.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.311 176.416 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -58.65 -22.52 56.95 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.73 -31.46 66.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.068 0.461 . . . . 0.0 110.68 176.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.439 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -118.22 -50.38 0.34 Allowed Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.883 178.031 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.477 ' HA ' ' CD ' ' A' ' 102' ' ' GLU . 24.1 t0 -60.29 103.97 0.28 Allowed 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.469 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.4 m -95.87 -14.09 23.45 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.131 0.491 . . . . 0.0 110.029 -173.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.08 -24.55 47.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.735 177.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 73.76 25.24 72.48 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.843 -174.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.454 ' OD2' ' HB3' ' A' ' 97' ' ' LYS . 1.5 p-10 -87.13 -9.02 56.36 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.513 -0.344 . . . . 0.0 110.794 -172.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.82 29.34 18.6 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.335 -0.936 . . . . 0.0 112.517 174.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.454 ' HB3' ' OD2' ' A' ' 95' ' ' ASP . 0.0 OUTLIER -142.84 156.83 45.01 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -177.251 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.558 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 14.4 mm -102.4 101.08 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.574 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.046 172.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.91 139.47 42.87 Favored Glycine 0 N--CA 1.432 -1.575 0 N-CA-C 107.716 -2.154 . . . . 0.0 107.716 162.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.421 ' CG2' ' HB2' ' A' ' 48' ' ' PHE . 97.4 t -62.44 -39.56 84.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 CA-C-N 117.755 0.778 . . . . 0.0 110.691 -174.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -63.07 -35.07 79.04 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.087 172.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.477 ' CD ' ' HA ' ' A' ' 91' ' ' ASP . 14.2 mt-10 -66.09 -41.07 91.14 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.94 176.442 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.558 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . 14.6 t80 -64.55 -46.55 82.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.378 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.48 -35.92 74.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.799 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.63 -22.57 63.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.533 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 8.1 ptp -87.63 -25.02 23.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.166 0.508 . . . . 0.0 109.862 177.148 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.541 HG22 ' HA ' ' A' ' 37' ' ' ALA . 85.1 mt -79.57 -42.21 22.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.863 0.84 . . . . 0.0 109.409 -178.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.463 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 0.9 OUTLIER -83.61 -30.17 27.15 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.568 -1.196 . . . . 0.0 109.764 179.568 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.136 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.981 -176.766 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.0 mt -58.46 -40.56 78.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.51 0.672 . . . . 0.0 109.385 174.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.513 ' H ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -111.67 150.64 29.87 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.66 175.458 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -101.12 108.32 19.97 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -49.09 -38.27 24.1 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.423 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.27 -46.94 81.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.421 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.2 -37.95 78.37 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.938 0.399 . . . . 0.0 110.989 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.24 -47.21 94.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.752 174.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.6 m -58.95 -36.99 75.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.143 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.27 -47.53 83.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.199 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.36 -41.31 98.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.089 0.471 . . . . 0.0 110.302 177.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.4 HD13 ' HB1' ' A' ' 75' ' ' ALA . 92.2 mt -67.52 -19.59 65.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.158 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.71 -31.07 36.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.026 0.441 . . . . 0.0 110.51 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.43 -43.66 26.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.317 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.475 ' HB3' ' OE1' ' A' ' 82' ' ' GLU . 36.6 m -89.45 17.51 6.18 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.139 -177.274 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -74.38 -42.42 59.31 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.23 118.2 17.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.745 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -60.28 122.41 14.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.93 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.12 -26.28 14.13 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -175.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.8 m -96.97 48.86 1.06 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.351 0.596 . . . . 0.0 109.986 178.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.436 ' CE1' HG11 ' A' ' 85' ' ' VAL . 3.8 p90 -90.66 131.57 36.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.907 -174.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -138.9 91.85 2.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.882 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -61.43 -31.59 71.54 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.637 0.732 . . . . 0.0 109.899 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.605 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 88.7 tttt -68.22 -47.12 68.7 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.236 -177.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.22 -38.63 71.32 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.384 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -61.42 -54.35 44.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.081 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.605 ' CD2' ' HA ' ' A' ' 28' ' ' LYS . 1.8 p90 -65.91 -42.46 90.13 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.935 0.398 . . . . 0.0 111.471 -173.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.589 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 5.8 t -87.1 -21.73 25.83 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -168.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -74.7 -48.59 25.1 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.032 0.444 . . . . 0.0 110.469 177.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 m -78.48 -5.06 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.85 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.824 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.47 ' O ' ' HG2' ' A' ' 39' ' ' LYS . . . 71.16 34.57 64.46 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.45 -0.796 . . . . 0.0 112.318 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.499 HD12 ' HG3' ' A' ' 39' ' ' LYS . 22.0 tp -77.1 -29.41 54.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.784 0.326 . . . . 0.0 110.738 -177.241 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.536 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . . . -69.82 -21.51 63.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.021 0.438 . . . . 0.0 110.357 179.088 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.67 23.91 9.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.593 177.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.499 ' HG3' HD12 ' A' ' 36' ' ' LEU . 43.7 mmtm -97.16 150.26 21.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.101 0.477 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.412 ' OG ' ' HD2' ' A' ' 41' ' ' PRO . 8.5 t -80.44 151.3 71.82 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.426 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.412 ' HD2' ' OG ' ' A' ' 40' ' ' SER . 43.4 Cg_exo -38.91 -50.36 2.59 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.565 2.844 . . . . 0.0 114.296 -178.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.5 -40.22 78.19 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.592 ' O ' HG23 ' A' ' 47' ' ' VAL . 25.1 m-20 -65.97 -49.49 67.7 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.29 0.566 . . . . 0.0 109.565 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.9 mt -67.52 -26.98 36.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.219 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 25.2 mmtp -61.61 -45.76 92.71 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.793 0.33 . . . . 0.0 111.232 176.333 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.55 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -72.69 -24.74 61.05 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.019 179.32 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 43' ' ' ASP . 60.9 t -67.84 -33.68 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 173.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.82 ' HA ' HD11 ' A' ' 51' ' ' ILE . 20.6 m-30 -57.05 -40.02 75.99 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.342 0.592 . . . . 0.0 110.12 172.428 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.58 -24.08 66.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.993 177.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.532 ' CD1' ' HA ' ' A' ' 47' ' ' VAL . 45.7 mt -70.9 -45.13 74.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.82 HD11 ' HA ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -64.56 -24.8 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 176.85 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -87.07 62.87 7.6 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.236 173.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.96 -47.33 52.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.8 0.81 . . . . 0.0 109.915 -178.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.403 ' HB3' ' OE1' ' A' ' 63' ' ' GLU . 11.1 t70 -78.29 -15.03 59.16 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.606 -177.648 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.419 ' HD2' ' HA ' ' A' ' 55' ' ' LYS . 12.9 mmmm 59.29 64.63 1.32 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.98 0.895 . . . . 0.0 111.033 -178.304 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.416 ' C ' ' H ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -110.88 3.76 19.17 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.57 -1.196 . . . . 0.0 110.692 -173.713 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 56' ' ' SER . 31.9 m-20 72.47 -2.41 2.63 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.805 0.842 . . . . 0.0 109.826 -171.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.416 ' H ' ' C ' ' A' ' 56' ' ' SER . 95.8 m-85 -144.96 140.36 28.16 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.656 -1.156 . . . . 0.0 108.107 175.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.808 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 0.8 OUTLIER -99.26 126.67 52.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -179.726 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -91.89 172.72 8.27 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.595 175.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.88 -44.21 93.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.676 0.274 . . . . 0.0 110.485 177.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -65.83 -27.63 68.39 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.288 0.566 . . . . 0.0 110.006 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 67' ' ' PHE . 32.5 mt-10 -66.24 -37.53 85.73 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.273 174.003 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.579 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -70.65 -26.62 63.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.048 0.452 . . . . 0.0 110.829 178.567 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.657 ' O ' HD12 ' A' ' 68' ' ' LEU . 1.4 mptm? -63.01 -43.89 97.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.421 0.629 . . . . 0.0 110.422 176.189 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.8 mt -103.31 -0.42 30.26 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.191 -175.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.579 ' HD1' ' O ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -65.94 -25.38 67.1 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.511 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -67.27 -43.08 82.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.289 178.705 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -72.16 -15.0 61.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.571 177.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.418 ' ND2' ' HA ' ' A' ' 50' ' ' ILE . 51.5 t30 -87.44 -26.84 23.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.345 176.234 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -77.85 -46.17 22.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.57 -177.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.1 p -127.87 -169.3 2.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.297 -175.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.49 -44.0 25.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.731 0.3 . . . . 0.0 111.515 -177.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -146.62 98.81 0.2 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.95 -177.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.4 ' HB1' HD13 ' A' ' 16' ' ' LEU . . . -122.27 133.62 54.69 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.929 0.395 . . . . 0.0 111.522 -176.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.515 ' HD3' ' N ' ' A' ' 76' ' ' ARG . 0.6 OUTLIER -64.09 135.05 56.04 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.599 174.881 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.42 117.93 16.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.152 0.501 . . . . 0.0 110.639 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.527 ' HG ' ' HG2' ' A' ' 82' ' ' GLU . 6.6 mp -64.93 139.86 58.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.317 177.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.409 ' O ' ' HB3' ' A' ' 82' ' ' GLU . 48.2 t -146.74 170.46 16.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.578 -175.444 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 67.76 -149.5 0.16 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.714 175.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.706 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -58.09 -24.13 57.41 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -175.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.527 ' HG2' ' HG ' ' A' ' 78' ' ' LEU . 6.4 tp10 -55.91 -60.98 2.7 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 123.334 0.396 . . . . 0.0 110.637 -179.11 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.405 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -58.19 -33.14 68.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.623 0.249 . . . . 0.0 110.702 -177.691 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -62.7 -61.89 2.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.179 0.514 . . . . 0.0 111.409 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.706 HG12 ' O ' ' A' ' 81' ' ' ALA . 2.3 p -68.39 -35.59 71.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.73 -178.234 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -62.78 -42.62 99.78 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.229 178.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.499 HD23 HG12 ' A' ' 98' ' ' ILE . 61.4 mt -62.1 -44.74 96.0 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.993 0.425 . . . . 0.0 110.271 173.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -64.27 -16.97 63.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.738 -174.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.22 -37.58 69.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.195 0.521 . . . . 0.0 109.716 172.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.455 ' O ' ' HB3' ' A' ' 102' ' ' GLU . . . -104.87 -47.38 1.18 Allowed Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.557 178.334 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.559 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 10.4 t0 -59.33 101.35 0.1 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.332 0.586 . . . . 0.0 110.577 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.4 m -98.81 -7.74 26.97 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.762 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -87.85 -24.29 23.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.797 -176.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.39 33.08 29.38 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 110.002 -1.239 . . . . 0.0 110.002 -169.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.595 ' OD1' ' HG2' ' A' ' 97' ' ' LYS . 6.7 p30 -91.39 -19.08 23.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.27 -0.465 . . . . 0.0 111.754 -175.089 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.02 28.27 54.53 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.129 178.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.808 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 10.1 ptmt -146.42 175.18 10.74 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -177.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.76 ' HB ' HG21 ' A' ' 59' ' ' VAL . 26.7 mm -109.0 105.25 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.098 0 C-N-CA 119.753 -0.779 . . . . 0.0 110.04 175.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.4 136.7 49.26 Favored Glycine 0 N--CA 1.43 -1.724 0 N-CA-C 108.188 -1.965 . . . . 0.0 108.188 166.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.667 HG13 ' CG ' ' A' ' 48' ' ' PHE . 5.6 t -57.73 -42.63 82.2 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 CA-C-O 121.514 0.673 . . . . 0.0 110.77 -176.321 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -67.72 -33.45 74.9 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.082 175.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.455 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 28.1 mt-10 -67.07 -34.01 76.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.64 178.105 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.722 ' O ' ' HG2' ' A' ' 106' ' ' MET . 51.8 t80 -62.27 -44.81 95.69 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.301 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -53.57 -43.81 67.8 Favored Glycine 0 CA--C 1.52 0.394 0 C-N-CA 120.122 -1.037 . . . . 0.0 111.507 175.304 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.35 97.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.502 -0.349 . . . . 0.0 111.84 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.722 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 17.8 ptm -72.73 -21.45 61.03 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 111.51 0.189 . . . . 0.0 111.51 -176.332 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.619 HG13 ' O ' ' A' ' 103' ' ' PHE . 69.9 mt -73.45 -37.01 49.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 122.136 0.97 . . . . 0.0 108.591 177.529 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.431 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 4.0 tmmm? -86.5 -21.31 27.05 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 113.998 -1.455 . . . . 0.0 111.24 -178.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.772 -0.632 . . . . 0.0 111.776 -176.099 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.293 0 N-CA-C 113.403 0.121 . . . . 0.0 113.403 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.3 mt -70.21 -36.23 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.728 . . . . 0.0 109.386 176.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.577 ' H ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -130.73 146.4 52.19 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.476 176.628 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -89.86 106.69 18.64 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.42 -30.83 65.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -175.152 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.8 -35.82 80.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.076 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.41 -41.25 63.52 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.114 0.483 . . . . 0.0 110.361 178.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.54 -48.41 87.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.845 173.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.1 m -62.44 -32.93 73.86 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.953 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.14 -49.67 68.98 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.872 0.368 . . . . 0.0 110.767 178.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.69 -43.92 90.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.783 176.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.9 -26.61 64.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.546 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.9 -28.29 66.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.056 0.455 . . . . 0.0 110.346 176.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.18 -41.91 14.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.267 0.556 . . . . 0.0 110.01 173.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 49.7 t -87.84 34.35 0.72 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.216 -176.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -102.06 -9.87 20.19 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.184 0.516 . . . . 0.0 109.833 173.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.3 114.55 11.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.994 -177.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.41 ' HA ' ' CZ ' ' A' ' 25' ' ' PHE . 41.1 mt-10 -62.06 126.47 27.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.2 178.312 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.61 2.75 84.49 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.363 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.9 m -148.85 71.62 1.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.245 0.545 . . . . 0.0 110.804 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.431 ' HB3' ' SG ' ' A' ' 19' ' ' CYS . 78.3 m-85 -108.47 148.76 29.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.997 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.764 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 8.0 m-20 -124.6 84.64 2.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.476 0.655 . . . . 0.0 110.269 176.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.511 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 7.3 t60 -68.12 -46.23 71.45 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.301 -175.453 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.506 ' HE3' ' O ' ' A' ' 109' ' ' ALA . 85.6 tttt -66.39 -46.48 76.51 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.072 178.556 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.764 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . . . -58.4 -32.03 68.24 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.406 178.388 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.511 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 91.3 t80 -56.26 -55.63 30.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.501 175.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -61.19 -43.0 99.57 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -177.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.446 ' CG2' ' HA ' ' A' ' 29' ' ' ALA . 3.9 t -75.84 -21.73 56.96 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.684 -177.132 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -81.94 -45.5 15.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.711 0.291 . . . . 0.0 110.963 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 30' ' ' PHE . 13.9 m -80.49 -10.79 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-O 121.027 0.441 . . . . 0.0 111.47 -179.098 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.9 25.97 56.89 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.58 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.0 tp -76.34 -14.46 60.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.219 0.533 . . . . 0.0 110.099 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.435 ' HA ' HG22 ' A' ' 107' ' ' ILE . . . -73.59 -12.47 60.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.213 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -103.04 26.8 7.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.987 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -94.81 139.79 30.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.278 0.561 . . . . 0.0 111.107 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.417 ' OG ' ' HD2' ' A' ' 41' ' ' PRO . 8.8 t -82.56 153.05 67.85 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.767 176.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.417 ' HD2' ' OG ' ' A' ' 40' ' ' SER . 68.3 Cg_exo -41.2 -36.55 2.5 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.109 2.539 . . . . 0.0 114.07 -177.35 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.39 -46.41 88.75 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.638 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 29.0 t70 -79.28 -26.91 42.25 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-O 121.222 0.534 . . . . 0.0 110.126 -177.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.473 HD13 ' HA ' ' A' ' 44' ' ' ILE . 9.1 mm -72.42 -21.81 20.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-O 121.42 0.629 . . . . 0.0 109.713 172.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.713 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 21.7 tptm -71.55 -39.37 70.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.573 175.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.638 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -69.9 -28.01 65.27 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.262 173.41 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 43' ' ' ASP . 69.7 t -63.79 -37.7 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.754 172.557 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.713 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -47.22 -50.56 20.75 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.02 0.438 . . . . 0.0 110.555 169.385 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -65.44 -17.75 64.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.824 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.647 ' HA ' ' ND2' ' A' ' 70' ' ' ASN . 28.3 mt -81.84 -46.31 19.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-O 119.375 -0.345 . . . . 0.0 111.759 176.205 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.775 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -67.18 -29.59 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 176.081 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -83.59 61.55 6.32 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 171.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.488 ' OE1' ' HB2' ' A' ' 70' ' ' ASN . 15.6 tp60 -45.35 -46.35 12.96 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.414 0.626 . . . . 0.0 111.524 -178.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.794 ' HB3' ' OE2' ' A' ' 63' ' ' GLU . 0.7 OUTLIER -79.65 -16.66 55.37 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.112 -0.949 . . . . 0.0 112.142 -177.575 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.7 mmmp? 63.65 65.5 0.73 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.479 0.656 . . . . 0.0 111.036 178.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.97 9.46 26.5 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.058 -176.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 63.52 14.4 8.0 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.702 0.763 . . . . 0.0 109.548 -171.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -151.54 132.28 14.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.17 -1.377 . . . . 0.0 107.581 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.775 HG11 ' HB ' ' A' ' 51' ' ' ILE . 72.2 t -97.46 111.9 28.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-O 121.074 0.464 . . . . 0.0 111.664 -175.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -92.98 179.41 5.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.598 -175.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -78.43 -45.37 22.43 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.966 0.412 . . . . 0.0 111.08 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 19.8 t70 -64.53 -19.15 65.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.563 0.697 . . . . 0.0 109.908 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.794 ' OE2' ' HB3' ' A' ' 54' ' ' ASP . 83.7 mt-10 -75.85 -36.19 59.69 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.674 174.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.412 ' HG ' ' CD1' ' A' ' 87' ' ' LEU . 3.2 mm? -66.13 -21.69 66.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.077 0.465 . . . . 0.0 110.232 175.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.503 ' O ' HD23 ' A' ' 68' ' ' LEU . 9.2 mptt -63.59 -52.76 59.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.269 175.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.406 HD22 ' HB3' ' A' ' 65' ' ' LYS . 1.3 mm? -100.93 4.69 42.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.956 0.408 . . . . 0.0 111.557 -177.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.541 ' CD1' HG22 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -50.96 -31.2 17.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.797 0.808 . . . . 0.0 109.636 174.014 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.57 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.7 mm? -63.91 -55.82 19.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.871 -1.059 . . . . 0.0 111.395 -177.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -74.15 -4.49 36.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.266 0.555 . . . . 0.0 110.221 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.647 ' ND2' ' HA ' ' A' ' 50' ' ' ILE . 64.1 t30 -89.09 -25.88 21.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.151 174.378 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -84.5 -39.83 18.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.953 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.7 p -143.36 162.22 36.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.14 -174.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.29 -9.26 55.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.766 -174.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -134.8 66.23 0.57 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.787 -0.721 . . . . 0.0 111.874 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.57 ' HB1' ' HB3' ' A' ' 68' ' ' LEU . . . -121.91 166.07 14.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.014 0.435 . . . . 0.0 111.833 -175.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.552 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 20.1 mmm180 -115.27 136.01 53.55 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.772 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.4 118.6 12.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.095 0.474 . . . . 0.0 110.687 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 69.3 mt -70.2 139.77 52.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.736 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.5 m -143.19 173.96 11.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.762 0.315 . . . . 0.0 111.573 -176.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.509 ' O ' ' HG3' ' A' ' 84' ' ' LYS . 6.2 t70 56.62 -146.18 0.58 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.644 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.716 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -50.67 -35.02 28.81 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -172.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.71 ' O ' ' HB2' ' A' ' 86' ' ' PHE . 17.4 tp10 -53.09 -50.18 64.93 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 123.191 0.307 . . . . 0.0 110.917 -176.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.794 ' O ' ' HB2' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -70.18 -28.02 64.98 Favored 'General case' 0 C--O 1.21 -1.017 0 C-N-CA 119.726 -0.79 . . . . 0.0 110.572 -179.005 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 80' ' ' ASP . 31.0 mtpt -78.4 -62.65 1.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.939 0.399 . . . . 0.0 111.447 -174.415 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.716 HG12 ' O ' ' A' ' 81' ' ' ALA . 2.8 p -69.99 -36.05 67.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.167 -175.258 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.71 ' HB2' ' O ' ' A' ' 82' ' ' GLU . 41.2 m-85 -85.02 -17.03 38.8 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -176.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.794 ' HB2' ' O ' ' A' ' 83' ' ' THR . 19.3 tp -63.86 -42.8 97.47 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 163.394 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 34.9 mmtp -75.06 -15.63 60.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.406 -178.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.58 -37.29 62.79 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 169.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.433 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -96.24 -58.33 1.09 Allowed Glycine 0 N--CA 1.438 -1.205 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.767 175.173 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.605 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 20.6 t0 -64.17 100.52 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.938 0.399 . . . . 0.0 110.773 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.3 m -97.17 -5.27 37.53 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.246 0.546 . . . . 0.0 109.841 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.32 -26.24 30.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.753 -179.005 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.37 43.93 9.09 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.809 -176.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -109.43 -21.2 12.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.714 0.292 . . . . 0.0 111.665 -175.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.89 28.2 16.53 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.576 177.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.605 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 1.6 ptmm? -137.17 162.25 33.95 Favored 'General case' 0 CA--C 1.505 -0.755 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.491 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 16.1 mm -106.82 98.99 7.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 CA-C-O 121.395 0.617 . . . . 0.0 109.693 176.589 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.487 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -60.24 138.11 48.8 Favored Glycine 0 N--CA 1.43 -1.75 0 N-CA-C 108.399 -1.88 . . . . 0.0 108.399 165.687 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.487 ' CG2' ' HB2' ' A' ' 48' ' ' PHE . 84.3 t -65.82 -41.86 91.04 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-O 121.263 0.554 . . . . 0.0 110.388 -175.262 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.27 -33.75 72.76 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.154 171.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' A' ' 99' ' ' GLY . 9.2 mm-40 -68.82 -41.01 79.18 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.668 177.155 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.491 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . 25.9 t80 -65.6 -45.81 81.74 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.053 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.88 -34.81 72.74 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.559 176.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.96 89.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.853 -0.174 . . . . 0.0 111.202 178.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.444 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 7.7 ptp -74.69 -21.9 59.14 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.965 0.412 . . . . 0.0 110.469 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.461 HD11 ' CE2' ' A' ' 103' ' ' PHE . 71.7 mt -78.78 -38.34 21.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.89 0.853 . . . . 0.0 109.403 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -84.2 -22.99 30.71 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.508 -176.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.506 ' O ' ' HE3' ' A' ' 28' ' ' LYS . . . . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.163 -0.923 . . . . 0.0 110.468 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.589 0 N-CA-C 111.7 -0.56 . . . . 0.0 111.7 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.69 -36.29 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-O 121.491 0.662 . . . . 0.0 109.972 177.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.606 ' HG ' ' CE1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -138.32 140.07 39.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.391 -0.822 . . . . 0.0 108.991 172.255 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -97.26 113.72 25.38 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -49.6 -37.59 28.28 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.802 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.39 -33.47 73.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.616 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 1.2 t0 -82.55 -41.01 20.16 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.588 0.708 . . . . 0.0 110.15 -177.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.21 -46.44 96.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.756 175.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.6 m -59.76 -31.58 69.78 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.223 174.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 11' ' ' ASP . . . -66.07 -51.65 56.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.812 177.283 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.416 ' HB2' ' HD2' ' A' ' 33' ' ' LYS . . . -55.3 -41.61 72.55 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.815 0.34 . . . . 0.0 111.405 174.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 75' ' ' ALA . 47.6 mt -71.0 -36.17 72.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.376 -178.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.12 -22.91 59.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.137 0.494 . . . . 0.0 110.638 178.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.54 -22.31 61.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.413 0.625 . . . . 0.0 109.397 173.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.3 m -103.51 32.74 3.67 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.186 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -12.03 61.19 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.995 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.71 115.62 9.16 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.32 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -55.73 113.21 1.38 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.388 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.61 0.28 76.01 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.899 -0.667 . . . . 0.0 113.157 175.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.9 m -124.08 80.44 1.82 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.947 0.403 . . . . 0.0 110.807 -177.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -94.5 136.41 34.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.32 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -102.26 91.02 4.11 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.169 0.509 . . . . 0.0 109.733 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -25.41 61.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.945 -179.443 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.636 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 62.8 tttm -71.7 -51.4 23.1 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.692 -175.235 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.639 ' O ' ' HB3' ' A' ' 33' ' ' LYS . . . -55.82 -37.2 68.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.466 0.65 . . . . 0.0 110.169 175.25 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.54 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 66.2 t80 -67.04 -28.55 68.31 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.313 -177.362 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.66 ' CE1' ' HB ' ' A' ' 32' ' ' THR . 3.1 p90 -89.14 -49.48 6.72 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 119.743 -0.783 . . . . 0.0 111.753 175.188 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.66 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 4.6 t -86.64 -39.18 16.34 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -167.105 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.639 ' HB3' ' O ' ' A' ' 29' ' ' ALA . 5.8 tmtm? -80.99 -28.14 35.64 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.828 0.823 . . . . 0.0 108.996 -176.535 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.54 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 1.3 t -69.36 -33.6 58.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.146 169.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.0 22.96 28.84 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.133 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.556 HD12 ' HG3' ' A' ' 39' ' ' LYS . 20.8 tp -84.33 -20.93 31.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.648 0.261 . . . . 0.0 111.235 -176.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.473 ' HB2' ' HD1' ' A' ' 31' ' ' PHE . . . -64.29 -33.0 74.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.638 0.256 . . . . 0.0 111.467 -177.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.53 28.01 3.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.027 0.441 . . . . 0.0 111.179 -179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.556 ' HG3' HD12 ' A' ' 36' ' ' LEU . 44.0 mmtm -96.63 151.05 19.98 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.675 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 m -74.26 154.14 88.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.599 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -43.19 -46.47 9.25 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.069 2.513 . . . . 0.0 113.262 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.43 -41.79 85.85 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.728 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 69.7 m-20 -73.71 -39.41 64.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.519 0.676 . . . . 0.0 110.334 -177.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.5 mt -72.13 -25.06 23.06 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-O 121.151 0.501 . . . . 0.0 110.353 176.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 48.6 tptt -64.51 -43.96 92.43 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.868 176.49 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.728 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -66.22 -32.07 73.28 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.521 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.639 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 94.0 t -64.67 -32.78 59.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.895 173.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.767 ' HA ' HD11 ' A' ' 51' ' ' ILE . 17.0 m-30 -59.36 -30.39 68.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.376 0.608 . . . . 0.0 110.148 174.001 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.451 ' HB3' ' HD3' ' A' ' 55' ' ' LYS . 42.4 mt-10 -80.21 -19.06 47.84 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.963 174.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.7 HD13 ' O ' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -65.02 -45.89 93.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 177.727 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.77 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -64.84 -31.82 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 176.231 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.466 ' HB2' HG22 ' A' ' 59' ' ' VAL . 28.5 t0 -85.36 67.2 10.05 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.963 177.627 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -48.49 -46.71 38.58 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.272 0.558 . . . . 0.0 111.051 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -71.56 -18.85 62.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.995 -177.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.451 ' HD3' ' HB3' ' A' ' 49' ' ' GLU . 21.0 mmmt 56.0 64.32 1.76 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.12 0.486 . . . . 0.0 111.843 -178.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.4 p -130.25 10.49 5.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.781 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 73.59 -1.16 3.14 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.799 0.839 . . . . 0.0 111.623 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -118.52 122.76 43.46 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 174.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.771 ' HA ' ' OE1' ' A' ' 63' ' ' GLU . 15.7 t -115.5 94.75 3.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 120.585 0.231 . . . . 0.0 111.433 -172.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -92.7 179.95 5.34 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -172.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -69.52 -47.56 63.38 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.388 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 30.9 m-20 -62.11 -20.82 64.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.517 0.675 . . . . 0.0 110.039 -178.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.771 ' OE1' ' HA ' ' A' ' 59' ' ' VAL . 47.0 tt0 -80.65 -43.47 20.39 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.024 177.53 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.579 ' O ' ' HD2' ' A' ' 67' ' ' PHE . 0.5 OUTLIER -62.18 -18.1 60.01 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.574 175.726 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.49 ' HB3' HD22 ' A' ' 66' ' ' LEU . 11.2 mptt -55.0 -55.77 27.14 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.797 175.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.49 HD22 ' HB3' ' A' ' 65' ' ' LYS . 1.6 mm? -102.71 5.02 38.73 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.579 ' HD2' ' O ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -60.31 -29.99 69.2 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.031 -177.433 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.519 ' HG ' ' CE2' ' A' ' 67' ' ' PHE . 0.7 OUTLIER -71.7 -36.0 70.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.254 -178.634 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -77.61 -10.3 59.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.481 0.658 . . . . 0.0 109.403 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -86.77 -26.16 24.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.961 173.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.606 ' CE1' ' HG ' ' A' ' 7' ' ' LEU . 6.8 t80 -83.08 -51.95 7.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.199 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.1 m -142.0 173.56 11.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.262 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.63 -44.83 10.92 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -174.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.34 49.67 4.23 Favored Glycine 0 CA--C 1.512 -0.105 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.379 -176.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.46 ' HA ' HD13 ' A' ' 16' ' ' LEU . . . -104.21 161.93 13.62 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.076 0.465 . . . . 0.0 111.465 -176.317 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -110.38 132.43 54.18 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 177.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.3 117.04 14.56 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.129 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 43.2 mt -63.55 121.03 12.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.44 -177.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.516 ' O ' ' HG3' ' A' ' 82' ' ' GLU . 6.5 m -124.71 133.95 53.01 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 -177.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 64.73 -113.34 0.32 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.83 175.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.69 -26.09 65.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.879 0.371 . . . . 0.0 111.529 -172.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 79' ' ' SER . 7.5 mt-10 -64.27 -51.04 65.53 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.396 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.446 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -66.87 -42.94 84.79 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.287 177.465 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.428 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 56.5 tttm -57.03 -60.29 3.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.743 -177.144 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.8 t -65.59 -39.41 84.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.036 0.446 . . . . 0.0 110.918 -177.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -63.53 -41.73 98.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.131 -178.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.505 ' HA ' HD11 ' A' ' 98' ' ' ILE . 88.1 mt -62.63 -41.61 99.12 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 176.32 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 73.5 mmtt -65.32 -21.93 66.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.707 -177.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.79 -23.21 67.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.915 177.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.413 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -122.28 -51.56 0.23 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.928 -178.018 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.602 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 29.4 t70 -61.32 114.18 3.04 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.786 0.327 . . . . 0.0 111.037 -177.665 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.4 t -95.03 -13.47 25.19 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.029 0.442 . . . . 0.0 110.202 -176.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.16 -26.0 29.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.424 -174.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.62 37.0 21.48 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.522 -176.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -103.34 -20.55 14.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.687 0.279 . . . . 0.0 111.325 -175.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.41 28.77 12.18 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.893 176.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.602 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 9.9 ptmt -132.92 171.82 13.43 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 179.081 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.598 ' O ' ' HB ' ' A' ' 59' ' ' VAL . 24.9 mm -112.56 100.05 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.398 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.777 172.614 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.11 141.33 48.12 Favored Glycine 0 N--CA 1.43 -1.72 0 N-CA-C 108.322 -1.911 . . . . 0.0 108.322 165.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.478 HG12 ' HB3' ' A' ' 48' ' ' PHE . 3.1 m -52.12 -45.65 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.275 0 CA-C-N 117.427 0.613 . . . . 0.0 111.762 -176.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -75.78 -25.6 56.56 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.437 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.413 ' HB3' ' C ' ' A' ' 90' ' ' GLY . 6.0 mm-40 -61.39 -42.66 99.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.742 174.499 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.592 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . 26.7 t80 -64.79 -42.58 94.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.225 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.1 -37.63 64.14 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.079 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.85 -33.52 75.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.882 -0.159 . . . . 0.0 111.426 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.426 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 6.3 ptp -82.97 -19.87 36.28 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.844 -177.34 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 103' ' ' PHE . 68.2 mt -78.23 -31.13 16.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 122.14 0.971 . . . . 0.0 109.147 176.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -92.44 -27.55 17.4 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.478 -174.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.657 -0.687 . . . . 0.0 110.941 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.261 0 N-CA-C 113.269 0.067 . . . . 0.0 113.269 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.7 mt -61.12 -33.36 55.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.418 0.628 . . . . 0.0 109.474 172.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.443 ' HB2' HD11 ' A' ' 12' ' ' ILE . 2.0 pt? -141.51 132.86 26.63 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.049 179.209 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -89.47 110.81 21.6 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -53.94 -31.28 49.87 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.301 -177.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.02 -41.68 77.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.818 176.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.56 -42.82 82.01 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 120.91 0.386 . . . . 0.0 110.823 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.443 HD11 ' HB2' ' A' ' 7' ' ' LEU . 1.7 mp -56.56 -49.58 77.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.799 175.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.6 m -61.77 -37.0 82.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.16 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.39 -56.34 23.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.592 0.234 . . . . 0.0 111.454 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.619 ' HB2' ' HG2' ' A' ' 33' ' ' LYS . . . -59.56 -40.62 87.91 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 178.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.416 HD13 ' HB1' ' A' ' 75' ' ' ALA . 71.3 mt -68.2 -32.45 72.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.313 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.492 ' HA ' ' NH1' ' A' ' 76' ' ' ARG . . . -69.53 -32.15 70.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.9 179.535 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.01 -3.88 44.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.399 0.619 . . . . 0.0 110.242 178.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.7 m -116.18 62.64 0.71 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.467 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 7.0 ttpm? -102.4 -26.19 13.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.103 0.478 . . . . 0.0 109.896 175.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.488 ' HB3' ' HB3' ' A' ' 24' ' ' SER . . . -70.44 127.41 32.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.939 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -62.4 119.97 10.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.838 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.69 2.12 67.57 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.48 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.488 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 32.9 t -126.39 58.15 1.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.271 0.558 . . . . 0.0 110.263 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.575 ' CD1' ' HG3' ' A' ' 82' ' ' GLU . 50.0 m-85 -102.39 103.79 14.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.202 176.674 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.595 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 7.8 m-20 -78.72 80.32 5.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.056 -177.347 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -62.99 -34.56 77.8 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.77 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.608 ' HG3' ' CE2' ' A' ' 31' ' ' PHE . 39.7 ttmt -71.34 -49.4 42.88 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.062 178.599 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.595 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . . . -53.3 -33.12 51.98 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.291 177.52 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.426 ' O ' HG22 ' A' ' 34' ' ' VAL . 76.6 t80 -60.66 -62.13 2.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.076 177.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.608 ' CE2' ' HG3' ' A' ' 28' ' ' LYS . 1.1 p90 -58.14 -35.39 71.44 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 121.177 0.513 . . . . 0.0 111.087 -176.156 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 28' ' ' LYS . 7.5 t -85.82 -21.85 27.9 Favored 'General case' 0 N--CA 1.431 -1.392 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.544 -171.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.619 ' HG2' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -88.02 -35.29 17.65 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.513 0.197 . . . . 0.0 111.328 177.107 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 30' ' ' PHE . 22.1 m -80.7 -6.9 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-O 120.975 0.417 . . . . 0.0 111.389 -178.279 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.94 13.05 72.85 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.77 177.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.484 ' O ' HG21 ' A' ' 107' ' ' ILE . 16.6 tp -81.67 11.36 4.83 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.367 0.603 . . . . 0.0 109.961 -178.345 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.13 -19.92 19.7 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.969 169.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.79 8.43 32.83 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.093 -177.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.475 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -56.21 160.96 2.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.344 -0.843 . . . . 0.0 112.55 177.736 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.0 m -97.11 159.76 30.6 Favored Pre-proline 0 C--N 1.318 -0.77 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 170.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.46 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 86.9 Cg_exo -43.66 -47.05 9.9 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.85 2.367 . . . . 0.0 113.647 -178.085 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.16 -29.68 70.98 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.686 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 68.7 m-20 -69.71 -42.48 73.96 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.636 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.423 HD11 ' HG2' ' A' ' 39' ' ' LYS . 14.1 mm -70.9 -23.14 23.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.856 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 41' ' ' PRO . 3.9 mmmp? -65.59 -45.99 81.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.073 0.464 . . . . 0.0 110.356 174.494 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.686 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -70.23 -21.13 63.03 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.515 176.853 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 43' ' ' ASP . 70.7 t -69.61 -34.75 62.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.124 173.254 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.571 ' HA ' HD11 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -52.82 -43.65 66.12 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 170.334 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -63.39 -27.04 69.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.935 178.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 47' ' ' VAL . 51.7 mt -71.36 -54.12 18.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.74 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -63.11 -37.55 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 C-N-CA 119.702 -0.799 . . . . 0.0 109.358 -178.394 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.466 ' HB2' HG22 ' A' ' 59' ' ' VAL . 20.0 t0 -83.84 72.57 10.39 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 120.114 -0.635 . . . . 0.0 109.47 178.419 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -51.44 -44.25 62.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.992 0.425 . . . . 0.0 111.038 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -80.59 -18.61 47.72 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.575 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 4.8 tppp? 58.77 67.67 0.9 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.477 0.656 . . . . 0.0 112.473 172.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.2 m -128.49 20.45 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.408 177.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.2 t70 73.28 -3.08 2.55 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.787 0.835 . . . . 0.0 111.304 177.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -120.75 134.34 55.29 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 173.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.74 HG11 ' HB ' ' A' ' 51' ' ' ILE . 6.5 t -123.64 86.38 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.424 -173.634 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -89.17 -175.87 4.93 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -176.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.54 -37.75 82.23 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.595 -174.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -55.41 -40.93 72.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.945 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.644 ' HB3' ' O ' ' A' ' 51' ' ' ILE . 1.4 mp0 -67.81 -40.7 83.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 177.477 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.453 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 4.1 mm? -65.69 -18.67 65.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.146 0.498 . . . . 0.0 111.156 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.489 ' O ' HD23 ' A' ' 68' ' ' LEU . 11.1 mptt -70.17 -49.64 48.4 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.514 175.277 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.2 mt -103.24 4.55 36.8 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -175.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.484 ' HD2' HG22 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -63.49 -23.62 67.47 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.511 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.727 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.0 mm? -61.41 -43.24 99.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.752 175.191 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -66.99 -17.55 64.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.057 178.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.4 HD21 ' C ' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -85.82 -38.7 17.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.88 175.471 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.453 ' CD2' HG21 ' A' ' 50' ' ' ILE . 1.9 t80 -62.09 -49.38 76.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.249 -174.504 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.2 p -132.34 -167.92 1.97 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.889 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.9 -43.87 34.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.069 0.462 . . . . 0.0 110.877 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -142.4 97.17 0.2 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.925 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.416 ' HB1' HD13 ' A' ' 16' ' ' LEU . . . -122.33 160.04 26.19 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.069 0.461 . . . . 0.0 111.115 -178.236 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.633 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 97.7 mtt180 -89.14 124.55 34.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.05 -176.155 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.479 ' HA ' HD23 ' A' ' 68' ' ' LEU . . . -63.27 129.98 42.6 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.847 178.115 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.401 ' HG ' HD21 ' A' ' 68' ' ' LEU . 14.1 mt -86.47 124.55 32.91 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.0 m -128.95 -176.21 3.79 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 64.56 -148.63 0.27 Allowed 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.508 0.505 . . . . 0.0 110.733 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.415 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -66.81 -17.49 64.91 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -174.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.575 ' HG3' ' CD1' ' A' ' 25' ' ' PHE . 6.5 mm-40 -61.56 -51.55 68.12 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -177.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.504 ' O ' ' HB2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -60.79 -38.34 85.01 Favored 'General case' 0 C--O 1.208 -1.079 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.979 178.611 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -62.21 -56.53 17.79 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -178.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 81' ' ' ALA . 8.4 p -69.5 -34.01 59.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.877 0.37 . . . . 0.0 111.213 -176.023 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -76.29 -31.64 58.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.896 0.379 . . . . 0.0 110.496 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.762 HD12 HG12 ' A' ' 98' ' ' ILE . 19.5 tp -69.57 -44.59 70.54 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 175.185 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.563 ' HA ' ' HB3' ' A' ' 91' ' ' ASP . 25.1 mmtm -69.78 -17.82 63.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.721 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.76 -27.2 66.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.032 0.444 . . . . 0.0 110.121 173.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -111.57 2.35 27.73 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.563 ' HB3' ' HA ' ' A' ' 88' ' ' LYS . 26.2 t0 -104.17 79.09 1.57 Allowed 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 171.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.1 m -91.63 -25.85 18.96 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.118 0.485 . . . . 0.0 110.373 -172.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -89.59 -3.14 58.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.325 176.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 70.34 44.7 58.36 Favored Glycine 0 C--N 1.331 0.256 0 CA-C-N 115.439 -0.801 . . . . 0.0 113.375 172.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -109.98 12.34 23.74 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.985 0.392 . . . . 0.0 111.244 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.79 29.18 39.66 Favored Glycine 0 C--N 1.334 0.421 0 N-CA-C 114.549 0.579 . . . . 0.0 114.549 166.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.557 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 8.7 ptpp? -160.07 178.55 9.57 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 117.225 0.512 . . . . 0.0 110.428 -176.048 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.762 HG12 HD12 ' A' ' 87' ' ' LEU . 23.5 mm -92.52 114.74 29.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.286 172.119 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -72.82 138.15 25.37 Favored Glycine 0 N--CA 1.437 -1.288 0 N-CA-C 108.859 -1.696 . . . . 0.0 108.859 167.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.9 m -58.45 -49.01 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.976 0 CA-C-N 117.471 0.636 . . . . 0.0 111.918 -174.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -80.07 -25.23 40.15 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.461 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -64.07 -33.69 76.34 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.852 173.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.5 ' CE2' HD11 ' A' ' 107' ' ' ILE . 52.0 t80 -67.82 -49.82 60.14 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.996 178.6 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -54.75 -39.83 69.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.387 -0.911 . . . . 0.0 111.489 175.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.01 -26.85 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.477 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 4.7 ptp -78.0 -28.39 49.23 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.305 0.574 . . . . 0.0 109.836 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.5 HD11 ' CE2' ' A' ' 103' ' ' PHE . 72.2 mt -77.65 -39.6 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.34 -178.208 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -80.37 -29.41 37.87 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 114.661 -1.154 . . . . 0.0 110.267 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.207 0 CA-C-O 118.578 -0.725 . . . . 0.0 111.886 177.898 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 CA-C-O 120.153 -0.248 . . . . 0.0 113.303 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.531 HG23 ' OD2' ' A' ' 43' ' ' ASP . 5.5 mm -53.49 -45.15 58.03 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.106 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 175.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.471 ' HB2' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -138.08 152.87 49.2 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 170.197 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -99.33 131.76 45.12 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.827 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -56.15 -28.7 59.03 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.456 174.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.87 -47.03 41.09 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.902 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.516 ' OD2' ' HA ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -72.51 -43.77 63.13 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.151 0.501 . . . . 0.0 110.635 -172.875 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.471 HD13 ' HB2' ' A' ' 7' ' ' LEU . 1.3 mp -60.73 -45.43 97.71 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.841 174.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.8 m -63.39 -30.59 71.7 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.286 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.65 -52.91 63.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.97 0.414 . . . . 0.0 110.315 177.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.6 -36.85 84.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.452 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.457 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 83.9 mt -74.91 -28.64 60.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.763 0.316 . . . . 0.0 111.44 -178.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.72 -18.59 60.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.167 0.508 . . . . 0.0 110.073 175.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.22 -37.0 66.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.914 175.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.457 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 26.5 p -88.96 18.85 4.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.139 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -71.4 -17.56 62.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.644 0.735 . . . . 0.0 109.196 173.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.59 145.52 30.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.281 172.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -72.32 137.77 46.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.685 0.279 . . . . 0.0 110.365 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.5 16.34 76.05 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.917 -0.658 . . . . 0.0 111.503 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.5 m -119.04 7.59 11.42 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -173.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -85.88 95.85 9.59 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 119.919 -0.713 . . . . 0.0 109.9 172.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.61 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 20.3 m-20 -86.37 98.14 10.82 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 171.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 -45.89 -34.42 3.85 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.583 0.706 . . . . 0.0 111.286 176.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.582 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . 62.5 tttm -73.51 -49.95 24.0 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.262 -178.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.61 ' HB3' ' HB2' ' A' ' 26' ' ' ASP . . . -57.64 -35.09 70.04 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.181 177.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.414 ' O ' HG22 ' A' ' 34' ' ' VAL . 77.9 t80 -59.6 -58.9 6.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.806 178.164 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.582 ' CE2' ' HA ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -62.56 -34.38 76.83 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.474 0.654 . . . . 0.0 111.131 -174.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.522 HG22 ' HA ' ' A' ' 29' ' ' ALA . 2.4 t -86.54 -19.42 29.49 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.233 -172.314 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 36.8 ttmt -86.63 -49.12 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.689 178.446 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.516 ' HA ' ' OD2' ' A' ' 11' ' ' ASP . 16.2 m -74.19 -23.51 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-O 120.87 0.367 . . . . 0.0 111.344 -177.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.415 ' O ' ' HG2' ' A' ' 39' ' ' LYS . . . 105.08 14.72 21.95 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.676 -0.773 . . . . 0.0 113.43 175.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.615 ' HA ' ' CG ' ' A' ' 39' ' ' LYS . 14.2 mt -66.43 -25.88 66.96 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -178.14 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.536 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . . . -64.0 -23.73 67.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.921 0.391 . . . . 0.0 110.603 177.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -107.67 -5.45 17.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.01 177.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.615 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 46.0 mmtt -63.9 145.55 55.63 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.489 0.661 . . . . 0.0 112.125 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.2 t -74.71 148.6 85.32 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.732 177.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.427 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 53.2 Cg_exo -53.61 -21.63 19.82 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.125 2.55 . . . . 0.0 112.832 176.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.04 -40.78 62.62 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.151 0.501 . . . . 0.0 110.727 177.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.778 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 6.9 t70 -70.96 -45.71 63.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.488 177.453 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.0 mt -60.55 -22.21 25.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.136 0.493 . . . . 0.0 110.525 174.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.505 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 40.9 tptt -74.42 -37.73 63.26 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 120.779 0.323 . . . . 0.0 110.647 177.514 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.778 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -73.28 -25.39 60.65 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.191 174.302 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 43' ' ' ASP . 61.5 t -67.78 -32.3 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.889 172.08 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.505 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -53.7 -47.98 69.99 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 170.183 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.75 -23.84 63.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.514 177.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.557 HG22 ' HD2' ' A' ' 67' ' ' PHE . 35.1 mt -76.18 -56.24 8.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 118.906 -0.569 . . . . 0.0 112.352 178.348 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.807 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -61.4 -34.64 62.07 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.912 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.605 ' CG ' ' HA ' ' A' ' 55' ' ' LYS . 9.7 t0 -83.14 74.38 10.0 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 174.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -53.07 -43.93 67.09 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.563 0.697 . . . . 0.0 110.411 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -84.41 -9.2 58.62 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.532 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.605 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 21.9 pttp 37.02 63.69 0.67 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.153 0.981 . . . . 0.0 113.61 177.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.7 p -125.54 33.01 5.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.269 176.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 78.46 -2.26 2.39 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 115.029 -0.987 . . . . 0.0 112.018 175.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -130.33 132.65 45.95 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.807 HG11 ' HB ' ' A' ' 51' ' ' ILE . 99.8 t -115.52 89.94 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.104 -174.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -93.13 169.21 10.58 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -174.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.55 -45.92 80.96 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -176.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -57.34 -24.79 57.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.971 -177.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -77.25 -45.38 26.6 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.696 175.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.563 ' HA ' ' HB3' ' A' ' 67' ' ' PHE . 1.0 OUTLIER -62.37 -16.02 52.16 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.578 -179.503 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -61.39 -56.11 23.93 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 120.501 -0.479 . . . . 0.0 111.004 172.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -102.35 4.54 39.11 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.563 ' HB3' ' HA ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -60.08 -24.15 64.37 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.112 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.648 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.3 mm? -63.6 -43.0 98.19 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.512 175.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -72.95 -11.31 60.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.713 0.768 . . . . 0.0 109.635 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.552 ' ND2' ' HA ' ' A' ' 50' ' ' ILE . 63.4 t30 -91.0 -17.8 25.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.432 173.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.472 ' CD2' HG21 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -86.54 -43.98 12.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.469 178.534 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.5 p -153.59 174.89 13.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.935 -178.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.51 -44.56 11.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.889 0.376 . . . . 0.0 111.258 -178.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -93.14 54.56 2.51 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.135 -177.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.597 ' HB1' ' HB3' ' A' ' 68' ' ' LEU . . . -106.38 166.36 10.59 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.954 0.407 . . . . 0.0 111.615 -175.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.542 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 29.7 mmm180 -114.94 140.07 49.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.161 -178.355 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.33 121.55 23.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.822 0.344 . . . . 0.0 110.638 179.195 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.8 mp -68.95 113.85 6.72 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.024 176.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.5 t -118.68 143.53 46.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.793 0.33 . . . . 0.0 110.698 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 65.82 -112.05 0.22 Allowed 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.825 173.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.25 -33.58 73.47 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.554 -171.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.89 -47.74 82.0 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.484 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -62.44 -55.56 26.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.463 179.011 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -55.93 -55.48 32.13 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -175.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.6 t -70.18 -36.45 67.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.539 -173.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -70.09 -34.97 73.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.282 176.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.511 ' HA ' HD11 ' A' ' 98' ' ' ILE . 81.7 mt -64.21 -52.04 60.77 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 173.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -63.3 -16.39 60.18 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -176.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.18 -28.68 66.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.092 0.473 . . . . 0.0 110.485 172.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -119.89 -41.09 0.57 Allowed Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.926 177.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -58.99 102.53 0.12 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.376 0.607 . . . . 0.0 110.553 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.6 m -98.3 -5.88 32.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.899 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.34 -25.72 18.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.308 -176.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.12 24.95 56.56 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.26 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.613 ' OD2' ' HG2' ' A' ' 97' ' ' LYS . 17.4 p-10 -104.94 -4.03 22.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.722 0.296 . . . . 0.0 111.307 -174.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.47 28.32 48.38 Favored Glycine 0 CA--C 1.517 0.195 0 C-N-CA 120.705 -0.759 . . . . 0.0 113.767 172.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.649 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 5.4 ptpp? -130.01 169.67 14.96 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.142 0.496 . . . . 0.0 109.905 176.115 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.611 ' O ' ' HB ' ' A' ' 59' ' ' VAL . 24.8 mm -116.1 104.94 17.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.005 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.702 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -68.12 138.27 32.6 Favored Glycine 0 N--CA 1.432 -1.576 0 N-CA-C 108.148 -1.981 . . . . 0.0 108.148 163.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.44 HG21 ' CD1' ' A' ' 48' ' ' PHE . 82.3 t -60.16 -37.62 73.97 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 CA-C-N 117.602 0.701 . . . . 0.0 110.938 -176.582 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.52 -38.87 88.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.178 173.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.91 -36.42 84.32 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.169 175.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.522 ' O ' ' HG2' ' A' ' 106' ' ' MET . 35.2 t80 -69.43 -46.98 65.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.46 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.4 -34.78 76.38 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.786 177.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.4 -36.74 79.55 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.522 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 10.8 ptp -72.77 -24.9 61.01 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.047 0.451 . . . . 0.0 110.35 -178.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.469 HD11 ' CE2' ' A' ' 103' ' ' PHE . 81.1 mt -80.59 -32.99 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 122.131 0.967 . . . . 0.0 109.763 177.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -95.74 7.78 45.35 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.492 -1.231 . . . . 0.0 110.288 -176.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.245 177.505 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.661 -0.176 . . . . 0.0 112.661 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.4 mt -62.44 -28.73 45.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 121.747 0.784 . . . . 0.0 109.289 174.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -137.4 149.19 46.75 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.858 176.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -101.06 114.69 28.86 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 170.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -53.77 -34.67 59.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.122 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.49 -36.6 84.73 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.561 177.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.425 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 32.1 m-20 -68.92 -47.73 65.03 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 120.964 0.411 . . . . 0.0 110.99 -178.643 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.504 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.9 mp -59.3 -53.34 49.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.858 177.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.0 m -54.66 -35.34 63.41 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.501 177.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.68 94.3 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.28 99.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.061 176.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 12' ' ' ILE . 4.6 mm? -62.16 -35.39 78.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.799 176.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.08 -33.11 75.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.897 0.379 . . . . 0.0 111.092 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.83 -10.73 54.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.066 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.538 ' HB3' ' CD1' ' A' ' 25' ' ' PHE . 87.1 m -129.91 29.87 4.91 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.541 -174.374 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -90.32 2.55 55.4 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.99 0.424 . . . . 0.0 111.307 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.4 133.1 37.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.105 175.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -61.9 126.5 27.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.251 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.401 ' H ' ' CD ' ' A' ' 82' ' ' GLU . . . 80.58 15.01 79.03 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.049 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.9 m -130.29 17.04 5.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.706 0.289 . . . . 0.0 111.322 -178.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.538 ' CD1' ' HB3' ' A' ' 19' ' ' CYS . 25.4 t80 -76.37 124.68 27.9 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 176.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -109.05 94.8 5.24 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.372 -0.531 . . . . 0.0 109.641 172.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.4 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 5.8 p-80 -55.29 -26.05 37.89 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.876 -178.63 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.551 ' HG3' ' CE2' ' A' ' 31' ' ' PHE . 29.9 ttpp -72.88 -50.94 20.75 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.407 ' HA ' HG22 ' A' ' 32' ' ' THR . . . -52.3 -38.99 59.95 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.93 174.415 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.4 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 91.7 t80 -54.33 -56.04 22.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.434 178.305 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.551 ' CE2' ' HG3' ' A' ' 28' ' ' LYS . 1.9 p90 -66.59 -37.54 85.13 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.294 0.568 . . . . 0.0 111.449 -175.504 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.504 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 8.6 t -86.34 -20.75 27.85 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.941 -169.134 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -83.68 -37.44 22.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.974 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.458 ' CG2' ' HB2' ' A' ' 36' ' ' LEU . 10.6 m -85.66 -11.6 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.396 -178.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.464 ' O ' ' HE2' ' A' ' 39' ' ' LYS . . . 83.89 28.61 34.16 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.213 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.458 ' HB2' ' CG2' ' A' ' 34' ' ' VAL . 12.6 tp -81.24 -17.02 50.97 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.649 -0.324 . . . . 0.0 110.918 -174.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.526 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . . . -79.9 -7.81 58.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.727 0.299 . . . . 0.0 111.473 -176.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -111.22 30.38 6.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.035 0.445 . . . . 0.0 110.625 177.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.464 ' HE2' ' O ' ' A' ' 35' ' ' GLY . 71.3 mmtt -95.72 134.19 38.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.829 -179.414 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.9 m -73.51 160.15 83.0 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.902 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_exo -43.7 -46.03 10.58 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.864 2.376 . . . . 0.0 113.202 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.87 -44.93 96.39 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.833 0.349 . . . . 0.0 111.614 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.704 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 5.2 m-20 -64.64 -44.58 90.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.376 0.608 . . . . 0.0 109.439 178.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.4 mm -64.64 -29.52 47.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.235 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 21.6 tptm -65.0 -42.12 94.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.083 0.468 . . . . 0.0 110.508 178.296 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.704 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -71.79 -25.63 62.09 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.782 -0.767 . . . . 0.0 109.27 177.021 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.761 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 96.2 t -68.44 -31.38 51.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.839 173.299 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.672 ' HA ' HD11 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -54.16 -45.33 72.01 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 169.543 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.31 -24.89 65.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.719 177.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.761 ' HB ' ' O ' ' A' ' 47' ' ' VAL . 0.3 OUTLIER -63.92 -54.6 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.686 174.459 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.792 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -70.56 -28.7 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.694 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -81.44 65.99 6.8 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 174.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.4 tm0? -68.06 -31.59 71.35 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.459 0.647 . . . . 0.0 110.509 -172.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.4 ' HB3' ' OE2' ' A' ' 63' ' ' GLU . 6.5 t70 -85.49 -11.28 54.63 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.214 177.151 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt 57.16 64.93 1.49 Allowed 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 167.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.0 m -138.75 25.96 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.026 -178.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 72.79 -2.66 2.61 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.284 0.633 . . . . 0.0 112.102 176.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -131.67 135.85 47.23 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 175.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.792 HG11 ' HB ' ' A' ' 51' ' ' ILE . 87.4 t -111.19 92.67 2.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.387 -171.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.498 ' O ' ' HB3' ' A' ' 63' ' ' GLU . 42.6 mt-10 -93.0 164.92 13.1 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -172.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -57.96 -53.75 54.71 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.58 -19.34 62.07 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.133 0.492 . . . . 0.0 110.511 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.62 ' OE1' ' HA ' ' A' ' 59' ' ' VAL . 32.8 tt0 -81.51 -43.14 19.21 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.507 176.439 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.564 ' O ' ' HD2' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -59.88 -20.0 54.6 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.277 175.647 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -53.56 -45.62 69.94 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.279 178.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -102.59 4.37 38.31 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.564 ' HD2' ' O ' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -61.7 -24.56 66.85 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.678 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.676 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.1 mm? -61.95 -51.11 69.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.051 177.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -68.11 -14.96 63.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.009 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -83.03 -38.79 22.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.402 176.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.57 -46.65 72.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.861 178.142 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.1 m -154.9 145.24 22.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.766 178.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.36 -13.91 62.35 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -174.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -111.42 29.35 8.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.342 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.43 139.63 35.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.848 0.356 . . . . 0.0 110.809 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.574 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 25.9 mmm180 -84.59 136.86 33.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.832 -176.495 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.435 ' HA ' HD23 ' A' ' 68' ' ' LEU . . . -67.64 118.65 11.2 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.99 0.424 . . . . 0.0 111.023 178.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.423 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 73.3 mt -69.54 130.42 42.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.496 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.446 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 14.4 m -129.38 155.83 45.03 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.984 -178.07 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 53.68 -112.0 0.66 Allowed 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 176.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.572 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -71.52 -34.14 69.82 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.749 -168.286 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 79' ' ' SER . 1.1 mm-40 -59.16 -53.26 60.34 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 -177.535 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.631 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 2.2 m -60.13 -44.13 95.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.106 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -55.91 -61.74 2.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.868 -177.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.572 HG12 ' O ' ' A' ' 81' ' ' ALA . 7.1 p -69.84 -29.82 42.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.917 0.389 . . . . 0.0 110.902 -175.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -64.67 -43.41 93.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.915 176.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.659 ' HA ' HD11 ' A' ' 98' ' ' ILE . 98.1 mt -65.19 -40.02 93.67 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.197 176.193 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -63.26 -25.43 68.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.112 -176.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.98 -28.46 69.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.102 0.477 . . . . 0.0 110.508 176.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.403 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -111.27 -66.83 0.53 Allowed Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.441 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.602 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 30.8 t70 -63.19 110.66 1.93 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.272 0.558 . . . . 0.0 110.632 -177.06 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.5 m -98.3 -4.45 35.05 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.21 -175.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.497 ' HB2' ' HB2' ' A' ' 95' ' ' ASP . 0.3 OUTLIER -91.77 -25.77 18.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.96 -173.79 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.43 40.68 12.65 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 -169.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.497 ' HB2' ' HB2' ' A' ' 93' ' ' ASP . 11.5 t0 -98.12 -0.59 44.1 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.43 -0.885 . . . . 0.0 111.248 -168.103 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.64 29.65 69.41 Favored Glycine 0 C--N 1.336 0.555 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.763 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.655 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 4.4 ptpp? -157.56 178.67 10.02 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 121.022 0.439 . . . . 0.0 110.329 -172.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.659 HD11 ' HA ' ' A' ' 87' ' ' LEU . 14.3 mm -114.57 109.29 27.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.301 169.184 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.76 137.13 46.54 Favored Glycine 0 N--CA 1.433 -1.538 0 N-CA-C 108.803 -1.719 . . . . 0.0 108.803 167.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.0 m -58.41 -39.91 76.37 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-O 121.287 0.565 . . . . 0.0 112.153 -174.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -80.96 -20.27 42.32 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.659 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.515 ' CD ' ' HA ' ' A' ' 91' ' ' ASP . 35.8 mt-10 -71.39 -33.57 69.61 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.789 173.373 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.574 ' CE2' HD11 ' A' ' 107' ' ' ILE . 26.6 t80 -69.6 -50.64 42.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.174 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.82 -34.72 65.58 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.566 176.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.88 -42.63 90.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.681 -0.259 . . . . 0.0 111.445 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 9.7 ptp -67.58 -27.35 66.85 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.082 0.468 . . . . 0.0 110.763 -178.428 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.574 HD11 ' CE2' ' A' ' 103' ' ' PHE . 99.3 mt -79.16 -34.15 16.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.784 0.802 . . . . 0.0 110.285 -177.062 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.9 tmmm? -87.28 -9.87 53.85 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.455 -176.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.659 -0.686 . . . . 0.0 110.969 179.128 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.181 0 N-CA-C 113.158 0.023 . . . . 0.0 113.158 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.509 HG23 ' OD2' ' A' ' 43' ' ' ASP . 35.5 mm -70.05 -29.88 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 171.017 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.482 ' HG ' ' CE1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -146.43 140.18 26.1 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.672 176.496 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -101.26 116.18 32.21 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 172.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -51.12 -37.62 47.12 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.898 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.35 -49.68 74.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.523 179.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -64.25 -48.53 75.41 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.22 0.534 . . . . 0.0 111.104 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.63 -48.54 85.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.395 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.4 m -60.56 -37.47 81.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.331 178.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.18 -55.48 34.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.76 -177.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.477 ' HB2' ' CD ' ' A' ' 33' ' ' LYS . . . -64.94 -36.34 84.09 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.49 -41.49 93.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 111.135 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.83 -21.54 57.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.024 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.63 -29.31 66.77 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.508 0.671 . . . . 0.0 109.898 177.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.559 ' HB3' ' HA ' ' A' ' 25' ' ' PHE . 20.2 m -104.72 50.95 0.78 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.731 -176.089 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -77.04 54.91 1.08 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 121.119 0.485 . . . . 0.0 111.129 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.414 ' HB3' ' HB2' ' A' ' 24' ' ' SER . . . -153.12 136.18 15.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.388 -178.121 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -63.0 135.33 57.23 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.26 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.81 0.18 24.51 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.807 -0.633 . . . . 0.0 113.379 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.414 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 38.9 m -119.49 46.53 1.89 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.062 0.458 . . . . 0.0 111.102 -175.473 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.559 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 28.2 m-85 -95.98 113.69 25.33 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.343 176.306 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -74.61 85.67 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.496 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -60.0 -29.53 68.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.626 0.727 . . . . 0.0 110.016 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.559 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . 42.7 tttp -74.47 -52.67 11.34 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.918 -177.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.488 ' O ' ' HB3' ' A' ' 33' ' ' LYS . . . -55.11 -34.8 63.99 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.637 177.716 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -62.28 -57.11 12.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.075 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.559 ' CE2' ' HA ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -60.56 -36.08 77.6 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.58 0.705 . . . . 0.0 110.875 -175.83 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.44 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 5.4 t -86.31 -21.25 27.4 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.561 -170.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.532 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -87.03 -31.22 20.66 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 121.277 -0.169 . . . . 0.0 111.112 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.532 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 15.7 m -91.51 -8.29 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -176.044 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.28 27.82 32.23 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.087 -178.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.431 ' HB2' ' CG2' ' A' ' 34' ' ' VAL . 14.9 tp -83.28 -16.92 44.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.927 0.394 . . . . 0.0 110.933 -175.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.469 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . . . -81.97 -5.23 58.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.076 0.465 . . . . 0.0 111.096 -178.314 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.76 38.01 3.44 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.165 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.468 ' HD2' ' CG ' ' A' ' 43' ' ' ASP . 62.3 mmtt -97.18 141.6 30.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.583 0.706 . . . . 0.0 112.357 -175.155 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 m -81.74 157.2 69.78 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.699 175.178 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_exo -44.99 -46.84 12.68 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.136 2.557 . . . . 0.0 113.862 -177.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.21 -29.75 70.84 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.875 0.369 . . . . 0.0 111.767 -177.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.683 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 11.1 t0 -75.9 -47.67 24.42 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.8 mm -62.73 -22.88 31.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.261 175.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.611 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 22.0 tptm -68.71 -42.33 77.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.986 0.422 . . . . 0.0 110.632 175.483 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.697 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -71.34 -26.49 62.85 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.397 -0.921 . . . . 0.0 109.147 175.275 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.733 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 86.8 t -65.54 -34.2 68.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.99 172.626 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.611 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -50.53 -47.4 57.59 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 169.091 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -62.07 -23.07 66.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.261 178.002 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.733 ' HB ' ' O ' ' A' ' 47' ' ' VAL . 0.3 OUTLIER -65.26 -59.3 4.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 176.764 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.869 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -71.53 -31.45 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 -178.205 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.608 ' CG ' ' HA ' ' A' ' 55' ' ' LYS . 10.9 t0 -82.06 74.86 9.02 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 177.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.645 ' OE1' ' HB2' ' A' ' 70' ' ' ASN . 50.2 tp60 -50.0 -47.03 53.18 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.924 0.869 . . . . 0.0 110.75 178.349 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.491 ' HB3' ' OE2' ' A' ' 63' ' ' GLU . 17.7 t70 -84.9 -8.71 58.66 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.965 -179.66 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.608 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 12.5 ptmm? 41.17 65.7 0.78 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 173.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.7 m -124.12 30.18 6.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.403 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 69.41 8.91 7.04 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.216 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -143.91 127.08 16.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.433 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.869 HG11 ' HB ' ' A' ' 51' ' ' ILE . 57.6 t -112.22 100.73 11.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.611 -172.111 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -93.48 174.11 7.36 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.61 0.226 . . . . 0.0 111.61 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -64.06 -36.83 85.28 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.612 0.244 . . . . 0.0 111.135 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -50.95 -30.21 14.28 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.429 0.633 . . . . 0.0 110.397 176.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.554 ' O ' ' HB3' ' A' ' 67' ' ' PHE . 44.0 mt-10 -86.2 -40.52 15.52 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.017 -177.482 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.723 ' HG ' HD21 ' A' ' 87' ' ' LEU . 4.5 mm? -58.33 -18.19 25.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.883 0.373 . . . . 0.0 111.074 176.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.474 ' O ' HD23 ' A' ' 68' ' ' LEU . 23.0 mmtp -67.15 -58.78 4.23 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.833 177.451 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -102.29 4.66 39.39 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -176.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.554 ' HB3' ' O ' ' A' ' 63' ' ' GLU . 0.8 OUTLIER -57.68 -24.95 59.37 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.261 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 2.8 mm? -59.57 -55.88 28.98 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.31 176.545 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -60.97 -21.47 63.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.103 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.645 ' HB2' ' OE1' ' A' ' 53' ' ' GLN . 35.9 t30 -74.76 -38.97 62.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.18 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.58 ' CD1' HG13 ' A' ' 50' ' ' ILE . 5.1 t80 -84.72 -42.02 15.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.279 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.9 m -152.57 135.65 15.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.17 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.44 -22.31 62.72 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -172.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -100.57 26.3 25.09 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.3 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.509 ' CB ' ' HB3' ' A' ' 68' ' ' LEU . . . -91.88 154.5 18.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.897 0.379 . . . . 0.0 110.928 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.695 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 29.2 mmm180 -95.38 127.14 41.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.725 -175.716 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.55 131.2 47.32 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.026 0.441 . . . . 0.0 110.508 178.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.465 ' HG ' HD21 ' A' ' 68' ' ' LEU . 59.3 mt -82.15 117.95 22.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.851 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.7 p -123.75 130.49 52.72 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -175.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.23 -92.88 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.649 175.449 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.04 -45.29 27.68 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -169.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.8 pm0 -69.34 -31.31 69.67 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.946 -178.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -42.73 85.57 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 173.595 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -60.4 -54.1 49.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.106 -177.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 48.8 t -66.95 -43.74 89.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.866 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -61.02 -41.38 96.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.011 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.723 HD21 ' HG ' ' A' ' 64' ' ' LEU . 65.2 mt -62.46 -54.06 45.69 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 176.402 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -63.46 -17.42 62.7 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -176.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.27 -34.56 72.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.001 0.429 . . . . 0.0 110.109 175.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.412 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -114.74 -48.84 0.53 Allowed Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.808 179.372 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 27.2 t70 -60.95 102.11 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 178.418 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.8 p -96.51 -21.56 17.63 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.89 0.376 . . . . 0.0 110.637 -174.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -84.06 -6.59 59.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.361 0.601 . . . . 0.0 110.774 -179.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 67.34 48.55 57.58 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.263 -0.881 . . . . 0.0 113.54 171.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.597 ' OD2' ' HB3' ' A' ' 97' ' ' LYS . 2.5 p-10 -109.16 -9.07 15.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.817 0.341 . . . . 0.0 110.472 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.97 28.81 17.04 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.215 176.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.597 ' HB3' ' OD2' ' A' ' 95' ' ' ASP . 0.0 OUTLIER -138.68 146.94 42.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.154 0.502 . . . . 0.0 110.235 -175.484 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.539 ' O ' ' HB ' ' A' ' 59' ' ' VAL . 26.2 mm -93.02 98.48 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.279 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.83 175.328 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -63.66 139.84 43.76 Favored Glycine 0 N--CA 1.435 -1.41 0 N-CA-C 108.118 -1.993 . . . . 0.0 108.118 165.141 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.487 HG21 ' CD1' ' A' ' 48' ' ' PHE . 92.4 t -63.23 -40.17 88.03 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.286 0 CA-C-N 117.719 0.759 . . . . 0.0 110.84 -175.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -68.31 -33.25 73.98 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.155 173.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 99' ' ' GLY . 11.3 mm-40 -61.13 -44.03 97.96 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.354 0.597 . . . . 0.0 109.658 173.321 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.486 ' CE2' HD11 ' A' ' 107' ' ' ILE . 26.0 t80 -64.78 -44.52 89.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.354 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.38 -31.86 63.36 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.187 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.39 -41.63 80.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.878 -0.161 . . . . 0.0 110.996 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.6 ptp -71.64 -19.3 62.12 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.939 0.4 . . . . 0.0 110.578 -178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.486 HD11 ' CE2' ' A' ' 103' ' ' PHE . 83.7 mt -82.32 -33.51 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.724 0.773 . . . . 0.0 109.926 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.9 tmmm? -90.37 -21.69 21.85 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.646 -176.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.73 -0.652 . . . . 0.0 110.718 179.539 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.675 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.476 HG23 ' OD2' ' A' ' 43' ' ' ASP . 34.9 mm -62.03 -32.29 53.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-O 121.51 0.671 . . . . 0.0 109.234 175.427 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 7' ' ' LEU . 3.7 pp -145.48 150.57 36.71 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.875 169.045 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -100.27 107.82 19.73 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 172.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -47.32 -37.84 11.66 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.936 -176.122 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.85 -49.25 73.51 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.363 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.12 -38.61 72.3 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 120.902 0.382 . . . . 0.0 111.443 -177.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.44 ' CD1' ' HB2' ' A' ' 7' ' ' LEU . 1.7 mp -62.48 -46.15 97.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.868 176.169 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 54.3 m -64.4 -37.54 87.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.185 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.73 -46.67 88.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.724 0.297 . . . . 0.0 111.095 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.65 -40.34 80.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.046 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.1 mt -65.86 -41.09 92.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.217 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.67 -24.98 58.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.936 0.398 . . . . 0.0 111.122 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.34 -15.47 61.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.079 0.466 . . . . 0.0 110.309 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 55.4 m -115.91 18.86 15.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.27 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.449 ' HA ' ' CZ ' ' A' ' 76' ' ' ARG . 40.6 ttmt -64.02 -34.36 77.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.118 -174.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.97 132.72 34.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.543 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.58 114.65 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.327 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.49 -15.5 29.69 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.464 -175.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.6 t -96.98 19.75 12.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.203 0.525 . . . . 0.0 110.065 178.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -81.0 129.69 34.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.479 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.465 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 21.6 m-20 -123.91 90.53 3.29 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.542 175.314 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.429 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 36.4 t60 -46.53 -54.9 8.43 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.317 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.563 ' O ' HG22 ' A' ' 32' ' ' THR . 87.7 tttt -72.17 -46.32 56.84 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.438 -173.619 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . . . -58.13 -33.74 69.48 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.488 177.006 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.634 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 90.1 t80 -55.7 -60.37 3.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.616 176.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.444 ' CE1' HG12 ' A' ' 107' ' ' ILE . 81.3 m-85 -67.23 -36.65 82.11 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -174.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 28' ' ' LYS . 10.2 t -76.34 -32.02 58.44 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.615 -178.341 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -80.86 -35.17 33.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.204 0.526 . . . . 0.0 110.174 178.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.634 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -74.92 -23.04 17.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.742 -178.288 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.92 26.72 30.86 Favored Glycine 0 C--N 1.333 0.37 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.439 177.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.529 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 11.7 tp -92.57 -12.71 31.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.854 0.359 . . . . 0.0 111.249 -175.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.04 -24.68 59.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.879 0.371 . . . . 0.0 111.667 -175.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.05 32.28 4.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.072 0.463 . . . . 0.0 111.164 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.523 ' HG3' HD12 ' A' ' 36' ' ' LEU . 69.8 mmtt -88.54 140.21 29.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.198 0.523 . . . . 0.0 111.96 -178.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.1 m -80.69 158.57 70.72 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.105 177.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -43.51 -45.27 10.56 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.356 2.704 . . . . 0.0 114.052 -177.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.14 84.64 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.553 ' O ' HG23 ' A' ' 47' ' ' VAL . 12.1 t0 -72.53 -47.35 49.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -178.337 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.448 ' HA ' HD13 ' A' ' 44' ' ' ILE . 10.5 mm -62.95 -22.69 31.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.056 0.455 . . . . 0.0 110.868 178.154 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.403 ' HD2' ' HA ' ' A' ' 45' ' ' LYS . 21.3 tptm -69.06 -48.19 63.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.885 0.374 . . . . 0.0 110.405 176.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.701 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -67.09 -25.48 66.24 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.425 -0.91 . . . . 0.0 109.165 175.62 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.666 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 71.2 t -65.6 -35.04 74.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.449 173.336 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.527 ' HB2' ' CG1' ' A' ' 100' ' ' VAL . 0.0 OUTLIER -52.57 -42.19 64.25 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.241 0.544 . . . . 0.0 109.54 170.412 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -72.67 -16.73 61.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.228 178.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.701 HD13 ' O ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -66.74 -50.69 63.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.832 -0.167 . . . . 0.0 111.336 175.305 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.807 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -73.15 -27.91 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.671 179.14 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -87.55 66.89 9.17 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 174.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -58.89 -33.15 70.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.095 0.474 . . . . 0.0 111.285 -175.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -78.46 -19.67 52.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.083 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt 56.83 63.29 1.98 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.417 0.627 . . . . 0.0 110.526 -173.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 55.7 p -124.78 5.2 8.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.361 -173.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 56' ' ' SER . 24.6 m-20 76.06 -0.73 3.08 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.315 0.646 . . . . 0.0 111.259 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -129.76 130.43 45.38 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 172.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.821 ' HA ' ' OE1' ' A' ' 63' ' ' GLU . 79.7 t -111.74 91.82 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.373 -173.495 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' A' ' 63' ' ' GLU . 46.4 mt-10 -93.6 166.14 12.39 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -177.407 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -62.55 -40.58 97.28 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 111.3 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.04 -22.01 60.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.28 0.562 . . . . 0.0 110.695 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.821 ' OE1' ' HA ' ' A' ' 59' ' ' VAL . 38.1 tt0 -88.48 -39.35 14.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.192 177.505 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.561 ' HA ' ' HB3' ' A' ' 67' ' ' PHE . 0.5 OUTLIER -61.09 -18.95 60.68 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-O 121.152 0.501 . . . . 0.0 110.85 175.148 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.44 ' HE3' ' OG ' ' A' ' 79' ' ' SER . 12.7 mptt -56.58 -48.36 77.55 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.97 174.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.426 HD22 ' HB3' ' A' ' 65' ' ' LYS . 1.8 mm? -103.0 4.93 37.9 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -177.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.575 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 0.3 OUTLIER -62.44 -24.63 67.54 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.486 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.736 HD22 ' H ' ' A' ' 68' ' ' LEU . 1.7 mm? -63.35 -46.7 85.37 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.675 177.049 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -66.01 -18.45 65.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.109 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -83.45 -41.39 18.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.009 178.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -72.39 -34.27 67.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.992 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.0 m -153.98 125.29 7.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.308 174.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.47 -32.08 68.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.808 -170.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -103.7 26.27 23.94 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.348 -0.929 . . . . 0.0 112.926 -178.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.46 156.77 21.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.066 0.46 . . . . 0.0 111.102 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.449 ' CZ ' ' HA ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -90.58 140.41 29.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.251 -179.023 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.03 139.24 41.36 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.055 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.464 ' HG ' HD21 ' A' ' 68' ' ' LEU . 12.8 mt -95.76 113.43 25.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.903 -179.37 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.44 ' OG ' ' HE3' ' A' ' 65' ' ' LYS . 50.6 m -145.56 86.82 1.76 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.265 0.555 . . . . 0.0 111.244 177.557 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -178.47 -154.24 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.82 -16.27 62.88 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 120.964 0.412 . . . . 0.0 110.42 177.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -73.63 -41.9 62.16 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.147 -173.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.84 -46.29 85.7 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.897 176.406 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -58.76 -56.78 17.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.689 -175.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 77.8 t -63.61 -46.13 95.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.015 0.436 . . . . 0.0 111.319 -177.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -64.88 -35.01 79.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.949 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.8 tp -70.05 -45.57 66.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.092 176.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.574 ' NZ ' ' HA2' ' A' ' 94' ' ' GLY . 73.4 mmtt -64.8 -17.11 63.92 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.916 -178.164 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.71 -26.35 63.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.22 0.533 . . . . 0.0 110.081 173.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -113.11 -51.1 0.52 Allowed Glycine 0 N--CA 1.443 -0.835 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.387 175.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -60.28 93.35 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.126 0.489 . . . . 0.0 110.468 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.7 m -99.94 -7.08 25.63 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.258 0.551 . . . . 0.0 110.296 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -86.85 -24.21 25.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.973 -176.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.574 ' HA2' ' NZ ' ' A' ' 88' ' ' LYS . . . 79.92 20.27 68.33 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.951 -178.412 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -100.43 -6.49 25.54 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -175.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 91.78 30.93 9.79 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 120.138 -1.029 . . . . 0.0 113.254 170.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 20.2 ptmt -147.08 169.33 19.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.552 0.691 . . . . 0.0 111.08 -174.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.538 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 31.7 mm -118.97 107.34 21.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.282 178.183 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -65.51 141.11 41.98 Favored Glycine 0 N--CA 1.434 -1.436 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 164.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.527 ' CG1' ' HB2' ' A' ' 48' ' ' PHE . 83.4 t -59.49 -40.2 81.23 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 CA-C-N 117.591 0.696 . . . . 0.0 111.136 -175.084 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -64.06 -30.5 71.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.654 174.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -68.49 -37.29 79.98 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.156 0.503 . . . . 0.0 109.688 175.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.598 ' O ' HG13 ' A' ' 107' ' ' ILE . 26.8 t80 -71.5 -47.32 56.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.249 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.78 -39.8 78.22 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.613 177.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.16 -34.43 78.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.73 -0.235 . . . . 0.0 111.163 177.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.44 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 4.9 ptp -80.38 -18.69 48.23 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-O 120.913 0.387 . . . . 0.0 110.655 -178.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.598 HG13 ' O ' ' A' ' 103' ' ' PHE . 78.5 mt -75.58 -32.02 24.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.897 0.856 . . . . 0.0 108.871 176.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -87.78 -30.65 20.1 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.404 -1.271 . . . . 0.0 110.915 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.347 -0.835 . . . . 0.0 110.515 178.495 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.206 0 CA-C-O 120.332 -0.149 . . . . 0.0 113.363 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.9 mt -53.82 -42.76 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.545 0.688 . . . . 0.0 109.894 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.472 ' HB2' HD11 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -144.16 136.86 26.99 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.147 -0.933 . . . . 0.0 108.989 174.056 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -98.73 130.94 45.22 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -48.02 -49.33 31.45 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.696 0.76 . . . . 0.0 109.621 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.58 -46.64 83.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.301 -1.318 . . . . 0.0 112.16 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.17 -46.13 82.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.951 0.405 . . . . 0.0 111.483 -175.197 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.472 HD11 ' HB2' ' A' ' 7' ' ' LEU . 1.8 mp -63.9 -45.98 95.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.283 178.487 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.4 m -60.15 -35.68 75.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.01 178.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.11 94.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.299 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.32 -40.54 74.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.033 0.444 . . . . 0.0 110.203 178.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.419 HD13 ' HB1' ' A' ' 75' ' ' ALA . 45.5 mt -65.29 -23.65 67.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.209 178.049 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.36 -27.6 25.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.876 177.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.44 -43.28 70.2 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 121.423 0.63 . . . . 0.0 110.322 -177.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.49 ' HB2' ' HA ' ' A' ' 25' ' ' PHE . 21.6 p -122.41 58.07 1.07 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.168 -179.603 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -81.36 -11.01 59.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.078 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' ' 24' ' ' SER . . . -73.78 117.9 16.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -62.69 120.43 11.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.02 6.11 56.07 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 -176.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.448 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 36.9 m -141.65 23.48 2.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.883 0.373 . . . . 0.0 110.474 178.299 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.49 ' HA ' ' HB2' ' A' ' 19' ' ' CYS . 54.4 t80 -69.27 126.58 30.2 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.144 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.454 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 4.0 t70 -108.66 84.93 2.01 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.198 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.45 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 5.6 p80 -54.63 -32.23 58.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.302 -176.704 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.513 ' O ' HG22 ' A' ' 32' ' ' THR . 73.0 tttt -78.09 -42.26 32.67 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.522 -176.451 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.454 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . . . -56.88 -36.87 70.59 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 174.061 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.45 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 65.2 t80 -55.47 -55.13 35.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.397 175.218 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.421 ' CD2' ' HA ' ' A' ' 107' ' ' ILE . 24.6 m-85 -62.28 -46.99 86.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.908 -176.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.513 HG22 ' O ' ' A' ' 28' ' ' LYS . 7.6 t -71.46 -21.73 61.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.82 0.343 . . . . 0.0 111.59 -177.231 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 81.9 tttt -84.39 -44.1 14.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.694 0.283 . . . . 0.0 111.124 -178.034 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.5 m -76.27 -15.95 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 CA-C-O 120.842 0.353 . . . . 0.0 111.327 -178.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.65 17.98 29.2 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.576 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.452 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 14.9 tp -91.51 8.27 37.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.882 0.372 . . . . 0.0 111.232 -175.082 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.8 -24.87 16.88 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.146 0.498 . . . . 0.0 109.745 171.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -112.35 27.54 9.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.99 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -74.65 177.82 5.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.391 179.552 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.417 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 21.1 m -113.69 164.73 15.11 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.052 173.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 40' ' ' SER . 91.2 Cg_exo -45.13 -46.31 13.63 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.162 2.575 . . . . 0.0 114.361 -177.288 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.71 -34.08 77.47 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.718 0.294 . . . . 0.0 111.723 -176.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.6 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 4.6 m-20 -62.72 -57.68 10.12 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.733 0.778 . . . . 0.0 109.697 -178.512 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.438 HD12 ' HE2' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -67.84 -26.59 35.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.774 -176.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 43.3 tptt -61.96 -45.95 91.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.01 0.433 . . . . 0.0 110.396 179.025 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.6 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -72.82 -24.6 60.93 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.325 -0.55 . . . . 0.0 109.853 179.428 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.565 ' HA ' HD12 ' A' ' 50' ' ' ILE . 97.8 t -66.51 -34.9 73.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.814 174.072 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.705 ' HA ' HD11 ' A' ' 51' ' ' ILE . 19.6 m-30 -59.54 -37.66 79.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.886 173.427 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -69.63 -19.53 63.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.134 176.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.565 HD12 ' HA ' ' A' ' 47' ' ' VAL . 61.9 mt -73.87 -47.28 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.705 HD11 ' HA ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -64.62 -30.21 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.49 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.535 ' CG ' ' HA ' ' A' ' 55' ' ' LYS . 38.8 t0 -86.76 69.44 10.31 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 169.552 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -49.43 -50.51 40.51 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.33 -174.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -76.9 -19.12 57.8 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.119 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.535 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 25.8 ttpp 59.87 66.95 0.92 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.731 0.777 . . . . 0.0 112.427 175.125 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.2 m -127.91 31.7 5.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.616 177.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 69.5 12.2 8.16 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.541 0.736 . . . . 0.0 111.802 177.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -144.22 131.95 21.27 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.621 HG21 ' HB ' ' A' ' 51' ' ' ILE . 0.5 OUTLIER -127.42 94.5 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-O 122.11 0.957 . . . . 0.0 110.307 -174.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.553 ' HG2' ' H ' ' A' ' 61' ' ' GLU . 30.9 tt0 -93.35 178.51 5.7 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.911 -173.39 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.553 ' H ' ' HG2' ' A' ' 60' ' ' GLU . 8.2 tt0 -56.8 -41.54 77.93 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.41 -30.08 68.21 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.343 0.592 . . . . 0.0 110.413 178.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.552 ' O ' ' HB3' ' A' ' 67' ' ' PHE . 40.6 mt-10 -79.89 -42.84 23.35 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.331 177.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.648 ' HG ' HD21 ' A' ' 87' ' ' LEU . 3.3 mm? -62.79 -18.45 62.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.491 0.662 . . . . 0.0 110.537 175.345 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.511 ' HD3' ' O ' ' A' ' 78' ' ' LEU . 1.4 tppt? -72.68 -52.79 13.83 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.844 178.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.462 HD22 ' NE2' ' A' ' 69' ' ' GLN . 30.6 mt -102.79 4.81 38.3 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -176.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.552 ' HB3' ' O ' ' A' ' 63' ' ' GLU . 1.0 OUTLIER -61.43 -24.4 66.51 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.696 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.643 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.5 mm? -60.62 -43.63 97.27 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.027 174.76 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.462 ' NE2' HD22 ' A' ' 66' ' ' LEU . 78.8 mt-30 -70.7 -15.11 62.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.969 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -86.06 -34.8 20.6 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.419 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -66.52 -48.13 70.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.416 174.9 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.45 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 49.1 m -150.83 132.8 15.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.0 176.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.89 -31.8 51.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.411 -0.813 . . . . 0.0 113.074 -170.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -114.6 72.05 0.24 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.58 -0.819 . . . . 0.0 111.924 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.419 ' HB1' HD13 ' A' ' 16' ' ' LEU . . . -122.94 148.9 44.94 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.594 0.235 . . . . 0.0 111.166 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.52 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 5.7 mpt_? -71.94 130.18 40.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.046 177.387 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.69 120.13 18.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.26 175.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.511 ' O ' ' HD3' ' A' ' 65' ' ' LYS . 6.4 mp -63.19 116.3 5.29 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.103 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.546 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 13.1 p -111.34 155.63 22.79 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -171.677 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.9 t70 54.47 -109.75 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.999 -1.0 . . . . 0.0 112.704 171.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.554 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -80.36 -20.8 43.3 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -170.414 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 79' ' ' SER . 2.6 mm-40 -64.6 -52.33 58.06 Favored 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.85 -39.65 81.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.182 177.331 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -58.18 -61.6 2.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.835 -177.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.554 HG12 ' O ' ' A' ' 81' ' ' ALA . 7.6 p -71.12 -27.93 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.963 0.411 . . . . 0.0 110.826 -176.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -69.78 -38.1 76.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.267 177.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.648 HD21 ' HG ' ' A' ' 64' ' ' LEU . 64.4 mt -64.53 -43.55 93.64 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 175.141 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -64.14 -28.45 69.77 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.835 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.75 -37.53 71.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.11 0.481 . . . . 0.0 110.907 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.412 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -107.08 -53.17 0.7 Allowed Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.145 -178.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -78.25 113.91 16.65 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.8 t -86.11 -14.27 44.72 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.142 0.496 . . . . 0.0 109.881 -172.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.8 -27.39 44.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.387 0.613 . . . . 0.0 109.512 178.299 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 68.29 30.68 73.63 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -174.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.577 ' OD1' ' HG2' ' A' ' 97' ' ' LYS . 2.8 p30 -80.14 -8.47 59.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.673 0.273 . . . . 0.0 111.623 -172.325 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.22 -9.26 53.96 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.523 -0.846 . . . . 0.0 113.184 175.021 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.577 ' HG2' ' OD1' ' A' ' 95' ' ' ASP . 4.1 ptpp? -117.57 159.62 22.59 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.663 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.594 ' H ' HG22 ' A' ' 59' ' ' VAL . 16.1 mm -101.5 110.25 27.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.002 176.366 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -61.12 137.77 47.94 Favored Glycine 0 N--CA 1.437 -1.26 0 N-CA-C 108.775 -1.73 . . . . 0.0 108.775 166.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.3 m -55.09 -44.81 76.02 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.121 0 CA-C-N 117.95 0.875 . . . . 0.0 111.798 -174.065 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.44 -17.67 53.79 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.748 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' A' ' 99' ' ' GLY . 7.7 mm-40 -63.21 -43.97 96.62 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 170.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.559 ' CD2' HD11 ' A' ' 107' ' ' ILE . 25.6 t80 -63.05 -48.19 79.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.508 -179.145 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.86 -34.28 61.17 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.256 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.88 -30.71 65.69 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.489 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 7.6 ptp -77.32 -23.52 50.95 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.931 0.396 . . . . 0.0 110.45 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.559 HD11 ' CD2' ' A' ' 103' ' ' PHE . 66.6 mt -80.03 -37.46 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.697 0.761 . . . . 0.0 109.824 -178.054 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.416 ' HE3' ' HB3' ' A' ' 108' ' ' LYS . 0.6 OUTLIER -84.74 -12.74 53.13 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.564 -178.662 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.678 -0.677 . . . . 0.0 110.935 178.304 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.456 HG23 ' OD2' ' A' ' 43' ' ' ASP . 25.3 mm -59.85 -36.24 65.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 173.567 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.68 142.98 33.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.497 176.055 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -101.07 109.15 21.01 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 176.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -51.26 -35.54 37.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.106 -177.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.81 -45.85 80.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.334 178.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.95 -42.84 97.2 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.104 0.478 . . . . 0.0 110.746 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.412 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.8 mp -59.79 -55.46 23.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.072 175.533 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.2 m -54.13 -35.55 62.32 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.646 178.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.33 -44.57 96.97 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.878 0.37 . . . . 0.0 110.64 178.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.89 96.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.515 176.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.46 ' HG ' ' HA ' ' A' ' 75' ' ' ALA . 4.4 mm? -64.84 -24.49 67.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.028 177.462 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.77 -36.82 62.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.857 0.36 . . . . 0.0 110.903 178.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.06 -28.85 39.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.061 0.458 . . . . 0.0 110.662 178.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.542 ' SG ' ' HA ' ' A' ' 25' ' ' PHE . 62.3 m -116.67 63.1 0.72 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.425 -178.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -109.39 2.77 20.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.194 0.521 . . . . 0.0 110.439 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.49 139.57 46.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.007 -177.343 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -64.26 115.55 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.955 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.06 -24.07 19.63 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 111.431 -0.668 . . . . 0.0 111.431 -176.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.8 t -96.26 -4.26 42.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.78 0.324 . . . . 0.0 110.452 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.542 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 50.5 p90 -80.55 146.73 31.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.023 0.439 . . . . 0.0 111.14 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -137.57 102.18 4.69 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 169.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -53.13 -36.76 61.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.724 -175.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.47 ' O ' HG22 ' A' ' 32' ' ' THR . 2.8 tmmm? -67.38 -50.67 58.77 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.853 -178.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.5 -34.56 64.72 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.061 177.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -56.69 -58.89 6.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.945 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -68.04 -35.96 79.1 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -174.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 28' ' ' LYS . 9.7 t -75.22 -23.26 57.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.784 0.326 . . . . 0.0 111.129 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -83.43 -46.57 12.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.737 -178.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.2 m -72.8 -10.27 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 CA-C-O 120.981 0.42 . . . . 0.0 110.938 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.18 24.85 60.58 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.516 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.491 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 11.5 tp -81.49 -18.98 43.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.099 0.476 . . . . 0.0 110.462 -178.513 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.74 -15.54 63.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.559 -178.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.84 38.68 3.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.912 0.387 . . . . 0.0 110.939 -178.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.491 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 29.8 mmtp -99.37 165.72 11.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.313 0.578 . . . . 0.0 112.021 -178.012 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.2 m -100.34 159.52 29.52 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.068 178.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -43.5 -49.19 7.89 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.43 2.753 . . . . 0.0 114.115 -177.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.88 -35.45 80.04 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.997 0.427 . . . . 0.0 111.721 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.62 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 10.1 t70 -70.76 -45.48 64.71 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -178.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.502 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 4.5 mt -71.52 -20.94 21.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.856 177.34 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.577 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 49.8 tptt -63.13 -45.37 92.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.99 0.424 . . . . 0.0 110.419 174.157 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.62 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -70.32 -22.91 62.77 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.703 -0.799 . . . . 0.0 109.362 175.624 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.583 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 78.0 t -66.72 -30.32 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.948 172.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.577 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -56.1 -47.39 78.13 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 168.918 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -64.72 -15.52 61.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.859 177.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.583 ' HB ' ' O ' ' A' ' 47' ' ' VAL . 32.9 mm -76.5 -53.72 14.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.752 ' HB ' HG21 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -70.18 -31.17 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 118.511 0.596 . . . . 0.0 109.483 177.465 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.577 ' CG ' ' HA ' ' A' ' 55' ' ' LYS . 8.5 t0 -83.56 77.37 9.85 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 174.597 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -57.06 -32.97 66.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.634 0.73 . . . . 0.0 109.743 -178.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.46 -2.29 36.4 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.223 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.577 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 20.1 pttm 39.21 66.01 0.61 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 175.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 68.4 m -121.54 25.57 9.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.092 177.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 78.03 -2.08 2.5 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.059 0.944 . . . . 0.0 111.703 176.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -137.28 136.99 38.53 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 175.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.752 HG21 ' HB ' ' A' ' 51' ' ' ILE . 1.3 m -117.09 113.88 44.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-O 121.274 0.559 . . . . 0.0 109.561 -177.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -93.01 -177.38 4.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.258 -176.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -70.35 -47.1 62.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.809 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -58.17 -26.44 62.74 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.137 0.494 . . . . 0.0 110.008 177.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.406 ' OE2' ' HA ' ' A' ' 59' ' ' VAL . 27.8 mt-10 -72.26 -51.53 20.53 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.611 174.31 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.562 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -63.61 -18.87 64.36 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 111.578 -179.845 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.425 ' O ' HD23 ' A' ' 68' ' ' LEU . 20.1 mmtp -60.11 -54.75 42.23 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.218 0.532 . . . . 0.0 110.608 173.217 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.0 mt -103.93 5.15 35.42 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.378 -175.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.562 ' HD1' ' O ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -61.89 -24.22 66.8 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.769 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.656 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.4 mm? -60.95 -46.91 88.82 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.108 174.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -71.46 -12.41 61.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.917 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.46 ' HB3' ' O ' ' A' ' 67' ' ' PHE . 53.1 t30 -83.12 -33.29 26.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.249 175.135 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -82.51 -45.34 14.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.447 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.7 t -150.92 148.1 28.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.107 0.48 . . . . 0.0 110.772 -179.021 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.47 -8.42 59.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.167 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -107.46 15.2 38.8 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.122 179.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.46 ' HA ' ' HG ' ' A' ' 16' ' ' LEU . . . -95.45 155.11 16.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.917 0.389 . . . . 0.0 111.146 -177.484 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.602 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 29.2 mmm180 -106.5 148.07 28.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.693 -176.436 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.65 123.6 24.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.787 0.327 . . . . 0.0 110.428 176.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.7 mp -67.68 154.1 42.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.433 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.4 p -97.17 -171.82 2.3 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -169.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -48.88 -73.27 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.853 0.861 . . . . 0.0 113.296 -172.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.588 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -78.02 -22.32 49.44 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.246 -173.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -65.0 -57.44 8.69 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.508 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.567 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 6.8 m -57.82 -40.75 80.75 Favored 'General case' 0 C--O 1.226 -0.144 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.065 175.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -55.84 -60.07 3.99 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.062 -177.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 81' ' ' ALA . 10.1 p -74.48 -27.22 20.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.953 0.406 . . . . 0.0 110.93 -176.474 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -64.19 -36.02 82.7 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.339 -0.391 . . . . 0.0 109.972 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 83' ' ' THR . 79.8 mt -64.0 -42.28 97.22 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.107 0.479 . . . . 0.0 109.975 172.21 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -66.23 -17.93 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.263 -176.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.85 -23.41 67.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.137 0.494 . . . . 0.0 110.336 174.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.443 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -120.48 -59.86 0.24 Allowed Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.536 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.459 ' HA ' ' OE2' ' A' ' 102' ' ' GLU . 26.4 t0 -72.31 105.51 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 177.321 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.0 t -88.78 -14.31 37.39 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.405 0.621 . . . . 0.0 109.34 -174.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.25 -26.32 47.22 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.933 -176.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.48 36.7 22.71 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.777 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.589 ' HB2' ' HG2' ' A' ' 97' ' ' LYS . 58.0 m-20 -81.35 -21.04 39.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.122 0.487 . . . . 0.0 110.375 -178.687 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.03 24.82 23.92 Favored Glycine 0 C--N 1.33 0.199 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.684 -178.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.589 ' HG2' ' HB2' ' A' ' 95' ' ' ASP . 20.5 ptmt -134.92 178.83 6.71 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 122.929 0.491 . . . . 0.0 109.708 -175.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.589 ' HB ' ' CG2' ' A' ' 59' ' ' VAL . 8.9 mm -127.12 109.53 20.79 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.016 168.276 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -68.3 138.1 32.06 Favored Glycine 0 N--CA 1.436 -1.337 0 N-CA-C 109.04 -1.624 . . . . 0.0 109.04 166.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.477 HG21 ' CD1' ' A' ' 48' ' ' PHE . 84.9 t -59.68 -41.78 86.36 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.101 0 CA-C-N 117.241 0.521 . . . . 0.0 111.008 -176.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -61.17 -37.91 84.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.228 0.537 . . . . 0.0 110.163 173.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.459 ' OE2' ' HA ' ' A' ' 91' ' ' ASP . 48.6 mt-10 -67.31 -39.27 85.9 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.356 178.16 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.571 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . 21.1 t80 -67.32 -46.66 72.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.174 178.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.54 -31.64 60.38 Favored Glycine 0 N--CA 1.452 -0.251 0 CA-C-N 115.938 -0.573 . . . . 0.0 112.326 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.17 -39.97 82.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.527 0.203 . . . . 0.0 110.999 177.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.9 ptp -75.89 -20.11 58.31 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.722 0.296 . . . . 0.0 110.721 -178.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.557 HD11 ' CD2' ' A' ' 103' ' ' PHE . 78.4 mt -78.56 -38.19 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.823 0.821 . . . . 0.0 109.517 178.237 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.8 tmmm? -83.06 -17.12 44.34 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.372 -1.285 . . . . 0.0 110.699 -176.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.499 -0.762 . . . . 0.0 110.96 -179.952 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.5 0 N-CA-C 112.321 -0.312 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.492 HG23 ' OD2' ' A' ' 43' ' ' ASP . 34.6 mm -61.93 -46.17 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.542 0.687 . . . . 0.0 109.57 177.344 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.406 HD23 ' N ' ' A' ' 7' ' ' LEU . 1.6 pt? -132.25 127.2 35.22 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.721 177.452 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -76.06 105.22 6.98 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 174.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -54.98 -36.17 65.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.576 -173.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.22 -42.33 98.41 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.497 177.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -71.29 -41.31 70.14 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.005 0.431 . . . . 0.0 110.832 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.416 ' HA ' HG12 ' A' ' 34' ' ' VAL . 1.8 mp -58.07 -49.85 80.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.943 175.062 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.4 m -60.11 -37.4 79.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.001 178.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.4 -43.74 93.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.968 0.413 . . . . 0.0 111.166 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.94 -39.24 87.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.541 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.746 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 81.2 mt -68.04 -30.48 69.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.957 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.06 -29.27 66.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.285 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.35 -43.1 28.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.456 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.746 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 27.2 p -80.46 4.17 19.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.16 0.505 . . . . 0.0 110.995 -179.061 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -80.71 -18.53 47.55 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 171.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.47 109.75 18.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.756 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.47 ' HA ' ' CZ ' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -68.15 113.25 5.64 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.479 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.06 3.16 33.91 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.667 -176.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.2 m -141.83 56.69 1.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.212 0.529 . . . . 0.0 110.663 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.544 ' HB3' ' OE1' ' A' ' 82' ' ' GLU . 61.1 m-85 -96.19 130.2 43.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.368 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -137.22 91.95 2.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.434 0.635 . . . . 0.0 109.717 173.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.486 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 4.7 t60 -69.27 -26.54 64.81 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.577 -176.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.438 ' O ' HG22 ' A' ' 32' ' ' THR . 39.2 ttpt -68.84 -46.96 67.2 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 176.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.452 ' HA ' ' CG2' ' A' ' 32' ' ' THR . . . -59.13 -30.46 68.15 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.324 176.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.486 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 75.7 t80 -57.05 -57.08 14.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.225 176.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.517 ' CD2' ' HA ' ' A' ' 107' ' ' ILE . 29.0 m-85 -64.24 -38.89 92.66 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -176.31 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.452 ' CG2' ' HA ' ' A' ' 29' ' ' ALA . 5.0 t -75.38 -21.93 57.89 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.381 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -86.74 -44.32 11.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.115 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 30' ' ' PHE . 22.0 m -69.13 -18.08 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 CA-C-O 120.798 0.333 . . . . 0.0 111.114 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.16 22.78 40.1 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.566 177.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.554 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 15.2 tp -96.1 12.39 30.86 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-O 121.012 0.434 . . . . 0.0 111.268 -176.067 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.51 -22.61 18.13 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 171.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -110.33 27.73 9.34 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.008 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -72.7 174.13 8.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.603 0.716 . . . . 0.0 112.727 178.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.5 m -109.65 163.3 17.41 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.153 175.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.514 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 94.1 Cg_exo -45.26 -51.35 7.91 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.934 2.423 . . . . 0.0 113.771 -178.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.55 -22.45 63.55 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.845 0.355 . . . . 0.0 111.774 -176.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.646 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 15.4 t0 -67.09 -49.7 64.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.577 0.703 . . . . 0.0 109.129 -178.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.532 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 2.5 mt -66.88 -19.3 25.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.246 177.256 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.785 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 27.0 mmtp -70.67 -37.03 73.62 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.895 -0.503 . . . . 0.0 111.313 175.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.646 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -72.59 -21.95 61.06 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.011 -1.076 . . . . 0.0 108.858 172.495 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.532 ' HB ' ' O ' ' A' ' 44' ' ' ILE . 92.1 t -68.75 -36.03 72.44 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.129 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.102 171.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.785 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 5.6 t80 -45.81 -48.14 15.71 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 169.395 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -69.63 -28.24 65.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.942 -1.026 . . . . 0.0 112.001 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.638 HG13 ' O ' ' A' ' 46' ' ' LYS . 51.0 mt -68.03 -54.29 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -175.043 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.883 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -63.85 -36.1 75.49 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.714 0 C-N-CA 119.581 -0.848 . . . . 0.0 109.175 -178.199 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.491 ' HA ' ' HG2' ' A' ' 63' ' ' GLU . 28.0 t0 -87.82 77.2 8.61 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 108.866 -0.791 . . . . 0.0 108.866 175.675 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.514 ' H ' ' HG3' ' A' ' 63' ' ' GLU . 4.5 pp0? -59.74 -22.09 61.61 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -172.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -104.1 -4.42 23.23 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.521 0.2 . . . . 0.0 110.915 176.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt 45.41 65.62 1.09 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 172.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 22.2 p -130.07 22.24 5.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.266 174.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 56' ' ' SER . 1.6 m-20 78.79 17.46 0.99 Allowed 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.188 -0.915 . . . . 0.0 113.038 172.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -141.65 130.46 22.95 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 174.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.883 HG11 ' HB ' ' A' ' 51' ' ' ILE . 46.4 t -126.07 81.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.603 -172.494 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -79.63 -174.2 4.17 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.698 0.285 . . . . 0.0 111.271 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.17 -39.31 94.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.689 0.281 . . . . 0.0 111.012 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.23 -28.32 66.58 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.195 0.522 . . . . 0.0 110.569 176.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.514 ' HG3' ' H ' ' A' ' 53' ' ' GLN . 1.8 tp10 -69.35 -48.25 61.91 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.673 177.185 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.461 ' HA ' ' HB3' ' A' ' 67' ' ' PHE . 4.2 mm? -63.03 -19.75 64.67 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.193 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.497 ' O ' HD23 ' A' ' 68' ' ' LEU . 12.0 mptt -66.67 -51.1 59.89 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.083 0.468 . . . . 0.0 110.68 178.141 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 51.6 mt -102.75 4.52 38.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.202 0.525 . . . . 0.0 111.991 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.577 ' CD2' HG22 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -60.43 -23.64 64.56 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 175.812 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 2.5 mm? -65.2 -40.2 93.87 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.833 174.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -67.79 -19.15 65.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.444 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.495 HD21 ' C ' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -83.6 -42.01 17.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.426 174.283 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.416 ' CD2' HG21 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -61.99 -46.52 88.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.74 -177.484 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.429 ' OG ' ' HB2' ' A' ' 75' ' ' ALA . 11.6 p -148.99 165.61 31.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.264 -177.381 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.86 -43.88 43.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.198 -177.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -107.95 80.78 0.28 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.445 179.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.529 ' HB1' ' HB3' ' A' ' 68' ' ' LEU . . . -121.65 165.28 15.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.962 0.411 . . . . 0.0 111.915 -174.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.616 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 1.2 mmp_? -110.27 125.89 53.6 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.824 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.446 ' HA ' HD23 ' A' ' 68' ' ' LEU . . . -66.21 119.91 12.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.937 0.399 . . . . 0.0 111.197 -179.575 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.461 ' HG ' ' HG2' ' A' ' 82' ' ' GLU . 6.2 mp -65.71 134.56 53.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.893 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.2 m -147.58 -178.79 6.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.403 -179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 65.12 -158.01 0.29 Allowed 'General case' 0 C--O 1.236 0.373 0 O-C-N 123.594 0.559 . . . . 0.0 110.609 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.685 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -55.41 -26.6 42.7 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -177.294 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.629 ' O ' ' HB2' ' A' ' 86' ' ' PHE . 8.3 tp10 -52.75 -51.92 58.6 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 122.604 0.362 . . . . 0.0 110.801 -177.155 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.833 ' O ' ' HB3' ' A' ' 87' ' ' LEU . 1.2 m -67.63 -30.35 69.89 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.821 -179.096 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -72.58 -61.73 1.7 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.179 0.514 . . . . 0.0 111.181 -175.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.685 HG12 ' O ' ' A' ' 81' ' ' ALA . 2.7 p -76.7 -35.77 25.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.605 -173.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.629 ' HB2' ' O ' ' A' ' 82' ' ' GLU . 22.8 m-85 -86.82 -18.41 31.07 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -174.058 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.833 ' HB3' ' O ' ' A' ' 83' ' ' THR . 0.1 OUTLIER -81.02 -26.73 36.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 166.303 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -70.09 -21.26 63.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.457 173.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.42 -23.58 50.32 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.172 0.51 . . . . 0.0 110.708 174.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.59 ' O ' ' HB3' ' A' ' 102' ' ' GLU . . . -103.83 -61.06 0.68 Allowed Glycine 0 N--CA 1.442 -0.916 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.875 -178.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -59.37 111.82 1.52 Allowed 'General case' 0 C--O 1.233 0.201 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 -177.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.5 m -87.09 -20.46 27.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.275 0.559 . . . . 0.0 110.181 -172.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.78 -25.75 32.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.171 -179.02 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 70.29 43.83 61.59 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -173.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.597 ' OD2' ' HG2' ' A' ' 97' ' ' LYS . 4.4 p-10 -107.52 -8.33 16.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.578 -0.311 . . . . 0.0 110.953 -173.436 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.33 28.73 5.96 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.705 -0.759 . . . . 0.0 114.176 169.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.597 ' HG2' ' OD2' ' A' ' 95' ' ' ASP . 8.5 ptpp? -152.89 146.5 25.06 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 121.685 0.755 . . . . 0.0 111.008 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.568 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 20.9 mm -88.67 100.45 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.816 174.599 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -62.16 138.11 45.73 Favored Glycine 0 N--CA 1.433 -1.524 0 N-CA-C 107.705 -2.158 . . . . 0.0 107.705 162.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.707 HG21 ' CD2' ' A' ' 48' ' ' PHE . 93.3 t -63.76 -37.8 80.63 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 CA-C-N 118.051 0.926 . . . . 0.0 110.938 -173.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -59.67 -44.16 93.69 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.578 172.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.59 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 5.3 mm-40 -57.08 -43.97 82.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.405 176.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.647 ' O ' HG13 ' A' ' 107' ' ' ILE . 17.3 t80 -62.21 -45.65 92.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.195 -179.44 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -54.33 -35.5 55.79 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.323 178.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.16 -32.92 71.11 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.3 ptp -79.08 -22.73 44.86 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.95 0.405 . . . . 0.0 110.103 178.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.647 HG13 ' O ' ' A' ' 103' ' ' PHE . 67.1 mt -75.54 -35.63 32.58 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-O 121.899 0.857 . . . . 0.0 109.338 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.24 -31.85 20.06 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.965 -178.487 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.733 -0.651 . . . . 0.0 110.512 -179.619 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.05 45.79 2.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.256 0.55 . . . . 0.0 110.343 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.509 ' CZ ' ' HA ' ' A' ' 72' ' ' SER . 84.0 m-85 -111.8 -178.86 3.54 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.529 -177.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.54 154.96 25.98 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.231 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.96 4.6 22.57 Favored Glycine 0 C--N 1.33 0.197 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.479 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.507 ' CG2' ' HE3' ' A' ' 39' ' ' LYS . 56.2 mt -59.63 -32.6 49.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 121.601 0.715 . . . . 0.0 109.575 172.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.41 HD23 ' H ' ' A' ' 7' ' ' LEU . 1.3 pt? -121.07 149.72 42.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.737 175.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -101.62 106.18 17.2 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 175.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -50.13 -37.98 36.93 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.386 -176.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.69 -41.15 96.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -72.54 -37.36 68.31 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 120.665 0.269 . . . . 0.0 110.943 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.57 -54.42 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.47 172.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.4 m -60.37 -39.21 86.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.509 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.93 -61.46 2.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.765 -178.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.44 -32.83 74.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.303 -177.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.707 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 67.6 mt -69.55 -31.32 69.45 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.82 0.343 . . . . 0.0 111.486 178.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.94 -29.06 64.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.001 0.429 . . . . 0.0 109.931 175.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.39 -42.06 19.14 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.134 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.707 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 31.9 p -81.95 45.37 0.91 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.774 0.797 . . . . 0.0 110.574 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -115.36 -13.44 11.66 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.829 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.63 132.47 48.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.343 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.99 120.0 11.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.04 0.447 . . . . 0.0 110.561 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.65 -18.46 29.61 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 -175.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.1 m -108.7 51.02 0.76 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.14 -0.53 . . . . 0.0 109.76 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -102.26 58.0 0.81 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.023 -174.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -87.83 77.58 8.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 122.061 0.934 . . . . 0.0 109.243 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.632 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -84.84 -20.94 30.09 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.433 -175.241 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.469 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 16.1 mtmm -67.79 -33.06 74.08 Favored 'General case' 0 N--CA 1.423 -1.819 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 175.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 33' ' ' LYS . . . -65.14 -31.63 72.92 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.948 173.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.632 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 51.5 t80 -57.01 -50.73 71.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.342 175.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.469 ' CD2' ' HA ' ' A' ' 28' ' ' LYS . 15.4 m-85 -60.18 -46.68 88.88 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.772 0.32 . . . . 0.0 111.096 -177.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.0 t -74.22 -21.75 59.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.636 -177.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 47.7 tttm -81.63 -48.66 11.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.835 0.35 . . . . 0.0 110.899 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.4 m -75.0 -8.54 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.562 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.86 19.43 53.8 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.508 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.422 HD12 ' HG3' ' A' ' 39' ' ' LYS . 13.7 tp -77.04 -21.7 54.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.804 0.335 . . . . 0.0 110.574 -175.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.05 -4.64 48.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.104 0.478 . . . . 0.0 110.455 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -116.95 44.27 2.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.765 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.507 ' HE3' ' CG2' ' A' ' 6' ' ' ILE . 15.5 mmtm -108.61 149.78 28.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.049 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.5 m -92.62 162.39 29.53 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 177.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.506 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 81.3 Cg_exo -42.87 -49.78 6.57 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.972 2.448 . . . . 0.0 113.332 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.93 -43.38 91.16 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 120.785 0.326 . . . . 0.0 111.586 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.735 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 37.1 m-20 -64.75 -48.08 75.86 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.426 ' HA ' HD13 ' A' ' 44' ' ' ILE . 6.1 mm -61.46 -24.95 35.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.39 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.645 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 30.4 mmtp -77.6 -31.88 53.23 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 122.086 -0.384 . . . . 0.0 111.894 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.735 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -74.67 -30.85 61.73 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 173.249 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 43' ' ' ASP . 38.5 t -68.74 -30.92 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.653 174.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.741 ' HA ' HD11 ' A' ' 51' ' ' ILE . 2.0 t80 -52.18 -49.51 63.71 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.236 0.541 . . . . 0.0 110.196 169.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -66.75 -15.29 63.44 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.023 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 47' ' ' VAL . 51.9 mt -75.68 -50.63 22.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 119.229 -0.415 . . . . 0.0 111.867 174.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.741 HD11 ' HA ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -67.5 -22.1 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 176.677 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.596 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 38.9 t0 -93.25 62.89 3.54 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 170.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -65.35 -21.04 66.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.181 0.515 . . . . 0.0 110.581 -172.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.553 ' OD1' ' HG2' ' A' ' 63' ' ' GLU . 1.5 m-20 -85.06 -19.05 32.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.368 177.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.7 tptt 60.74 63.83 1.25 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 121.818 0.818 . . . . 0.0 109.686 -173.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.428 ' H ' ' CG ' ' A' ' 52' ' ' ASP . 52.5 p -122.15 10.37 10.01 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.375 -173.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.7 t70 70.82 -3.26 2.03 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.576 0.75 . . . . 0.0 110.964 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -136.85 150.83 48.52 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.678 HG21 ' HB ' ' A' ' 51' ' ' ILE . 0.4 OUTLIER -122.28 102.36 11.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.65 0.738 . . . . 0.0 110.455 -176.624 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.481 ' OE2' ' HE3' ' A' ' 97' ' ' LYS . 59.7 mm-40 -94.42 174.92 6.89 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.105 -179.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -58.98 -43.29 91.36 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.668 0.27 . . . . 0.0 111.64 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -60.62 -22.01 63.33 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.991 0.424 . . . . 0.0 111.199 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.553 ' HG2' ' OD1' ' A' ' 54' ' ' ASP . 44.1 mt-10 -81.92 -39.96 23.01 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 177.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.62 ' HG ' HD21 ' A' ' 87' ' ' LEU . 2.7 mm? -62.94 -19.19 64.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.95 0.405 . . . . 0.0 111.154 176.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.442 ' HB3' HD22 ' A' ' 66' ' ' LEU . 11.5 mptt -65.5 -52.57 51.79 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.008 177.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.497 HD12 ' NE2' ' A' ' 69' ' ' GLN . 1.4 mm? -103.07 3.86 36.51 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -179.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.624 ' CD1' ' HG ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -62.1 -26.82 68.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.381 0.61 . . . . 0.0 109.552 -177.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.624 ' HG ' ' CD1' ' A' ' 67' ' ' PHE . 0.7 OUTLIER -73.2 -34.02 65.72 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.424 -178.447 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.497 ' NE2' HD12 ' A' ' 66' ' ' LEU . 78.6 mt-30 -67.82 -23.74 65.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.345 0.593 . . . . 0.0 109.441 175.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.443 ' OD1' ' HA ' ' A' ' 50' ' ' ILE . 2.3 t-20 -82.83 -29.09 29.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.562 176.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -71.84 -51.19 23.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.371 175.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.509 ' HA ' ' CZ ' ' A' ' 3' ' ' PHE . 50.4 m -148.03 141.13 24.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.885 178.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.64 -28.12 69.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.541 -170.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -110.15 47.27 1.06 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.281 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.435 ' HB1' HD13 ' A' ' 16' ' ' LEU . . . -101.09 157.61 16.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.874 0.369 . . . . 0.0 111.172 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.51 ' O ' HD13 ' A' ' 68' ' ' LEU . 20.3 mmt180 -92.36 142.34 27.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.498 -177.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.1 133.27 36.08 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 175.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.516 ' HG ' HD11 ' A' ' 68' ' ' LEU . 45.4 mt -74.81 142.87 44.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.595 -172.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.8 p -96.73 -171.49 2.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.969 -176.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -48.86 -66.64 0.37 Allowed 'General case' 0 CA--C 1.505 -0.771 0 O-C-N 123.68 0.612 . . . . 0.0 112.503 -174.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.5 -26.45 60.01 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.867 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.462 ' OE1' ' HB2' ' A' ' 19' ' ' CYS . 21.4 tp10 -66.77 -57.59 6.76 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.684 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.5 m -59.48 -37.55 78.54 Favored 'General case' 0 C--O 1.223 -0.329 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.185 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -59.06 -61.6 2.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.679 -177.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.98 -38.18 81.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.56 -176.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.412 ' HE2' HD12 ' A' ' 64' ' ' LEU . 11.2 t80 -60.45 -51.4 69.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.04 177.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.62 HD21 ' HG ' ' A' ' 64' ' ' LEU . 76.6 mt -57.25 -51.86 67.63 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 120.986 0.422 . . . . 0.0 110.082 178.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm -65.41 -15.45 62.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.771 -174.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.69 -37.23 63.02 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.548 ' CA ' ' HB3' ' A' ' 106' ' ' MET . . . -114.36 -42.46 0.82 Allowed Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.015 177.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.611 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 25.7 t0 -60.06 94.12 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.145 0.497 . . . . 0.0 109.985 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.8 m -96.97 -27.51 14.6 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.054 -175.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.627 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 15.0 p30 -83.0 -7.01 59.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.32 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.92 44.95 90.82 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.299 -0.864 . . . . 0.0 113.247 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 39.2 p-10 -109.22 20.07 18.73 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.9 28.81 73.28 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.318 -0.468 . . . . 0.0 112.908 171.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.52 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 6.5 ptmt -144.14 167.01 23.42 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -174.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.591 HD11 ' HA ' ' A' ' 87' ' ' LEU . 25.0 mm -105.71 98.06 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 170.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.65 137.43 48.67 Favored Glycine 0 N--CA 1.433 -1.51 0 N-CA-C 107.159 -2.376 . . . . 0.0 107.159 166.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.468 HG11 ' CD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -70.61 -18.56 21.21 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 CA-C-N 118.599 1.2 . . . . 0.0 110.841 -170.465 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -81.0 -34.32 33.01 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.038 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.504 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 16.1 mt-10 -62.52 -38.09 88.61 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 170.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.731 ' O ' ' HG2' ' A' ' 106' ' ' MET . 18.2 t80 -62.81 -53.08 59.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.209 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.37 -35.15 60.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.554 -0.832 . . . . 0.0 111.882 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.79 -45.24 68.41 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.731 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 8.8 ptm -67.41 -31.33 71.46 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.631 0.253 . . . . 0.0 111.399 -177.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.641 HD11 ' CE2' ' A' ' 103' ' ' PHE . 75.5 mt -75.89 -38.41 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-O 121.654 0.74 . . . . 0.0 109.648 -177.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.54 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -77.98 -31.75 50.9 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 114.633 -1.167 . . . . 0.0 109.884 -177.566 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 O-C-N 123.728 0.642 . . . . 0.0 110.15 -174.673 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . 0.596 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . 0.627 'CA ' ' OD1' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.4 mtp . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.913 0.387 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.71 80.62 6.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.348 -176.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 64.63 -79.47 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.552 177.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.12 -10.34 8.12 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.983 0.42 . . . . 0.0 110.681 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 81.54 -21.67 6.13 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.168 -0.539 . . . . 0.0 112.487 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.72 -35.07 49.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 121.803 0.811 . . . . 0.0 109.397 172.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.591 ' H ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -128.53 156.11 43.8 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.5 176.902 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -102.1 135.57 43.46 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -57.45 -34.35 68.88 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 176.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.46 -40.73 76.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.065 -0.97 . . . . 0.0 112.1 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.663 ' OD1' ' HA ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -77.56 -42.36 35.6 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.125 0.488 . . . . 0.0 110.567 -173.157 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.444 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.6 mp -57.86 -54.35 32.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.226 171.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.5 m -56.59 -33.12 65.9 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.267 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.2 -44.1 87.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.84 0.353 . . . . 0.0 110.582 177.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.02 -41.1 82.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.087 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 12' ' ' ILE . 4.6 mm? -61.98 -38.85 90.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.294 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.98 -25.69 59.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.884 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.732 ' O ' ' HB3' ' A' ' 24' ' ' SER . . . -76.08 -43.43 43.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.905 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.1 m -87.06 47.06 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.989 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -66.54 -37.26 84.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.642 -174.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.498 ' H ' ' HB2' ' A' ' 24' ' ' SER . . . -166.56 -157.29 0.27 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.779 0.323 . . . . 0.0 111.748 -175.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.421 ' HA ' ' CE2' ' A' ' 25' ' ' PHE . 54.7 mm-40 -52.24 133.97 33.76 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.586 -0.733 . . . . 0.0 112.028 -177.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.19 -7.59 10.53 Favored Glycine 0 CA--C 1.519 0.337 0 CA-C-N 115.451 -0.795 . . . . 0.0 113.356 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.732 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 45.7 m -99.39 -27.67 13.64 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.571 -0.37 . . . . 0.0 111.438 -177.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.559 ' CD1' HG11 ' A' ' 85' ' ' VAL . 3.6 p90 -69.5 118.31 12.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.371 0.605 . . . . 0.0 111.779 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.425 ' OD2' ' HB3' ' A' ' 28' ' ' LYS . 15.7 t70 -137.91 97.79 3.5 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.48 173.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.424 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 3.7 p-80 -52.13 -33.05 38.3 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.38 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.559 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 64.0 tttm -67.85 -53.79 24.05 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.749 -178.306 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.68 -38.5 64.26 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.148 174.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.424 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 78.2 t80 -55.85 -58.93 5.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.919 178.024 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 28' ' ' LYS . 1.9 p90 -62.41 -38.72 90.78 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.272 0.558 . . . . 0.0 111.274 -174.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 28' ' ' LYS . 8.3 t -86.57 -21.09 27.06 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.114 -170.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -80.82 -42.87 20.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.481 177.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.663 ' HA ' ' OD1' ' A' ' 11' ' ' ASP . 11.3 m -80.91 -1.17 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-O 121.211 0.529 . . . . 0.0 111.03 178.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.449 ' O ' ' HG2' ' A' ' 39' ' ' LYS . . . 65.74 34.06 87.73 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.815 -0.629 . . . . 0.0 112.372 178.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.568 HD11 HG21 ' A' ' 47' ' ' VAL . 12.2 tp -76.75 -33.4 58.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.829 0.347 . . . . 0.0 110.707 -177.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.49 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . . . -67.21 -21.13 65.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.017 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -93.51 -6.11 47.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.27 178.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 46.4 mmtm -72.21 144.77 48.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.413 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.3 m -75.13 157.12 85.51 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.848 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -43.75 -47.56 9.65 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.193 2.596 . . . . 0.0 113.51 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.24 95.88 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.193 0.521 . . . . 0.0 111.683 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.536 ' O ' HG23 ' A' ' 47' ' ' VAL . 19.7 m-20 -68.15 -42.9 79.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.789 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 mt -70.36 -23.42 24.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.043 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 21.4 tptm -64.65 -44.45 90.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.009 0.433 . . . . 0.0 110.935 177.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.748 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -72.69 -24.07 60.96 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.039 -0.664 . . . . 0.0 109.827 176.214 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.568 HG21 HD11 ' A' ' 36' ' ' LEU . 96.1 t -65.24 -38.55 82.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.298 0.571 . . . . 0.0 109.711 171.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.762 ' HA ' HD11 ' A' ' 51' ' ' ILE . 10.5 m-30 -59.23 -35.76 74.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.214 176.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.748 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 8.3 pt-20 -79.07 -15.7 57.82 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.449 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.699 HG13 ' O ' ' A' ' 46' ' ' LYS . 47.1 mt -70.28 -45.66 74.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.423 176.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.776 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -62.56 -35.4 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 176.018 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.619 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 34.8 t0 -80.65 62.51 4.74 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.211 174.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.33 -37.16 72.11 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.533 0.682 . . . . 0.0 110.813 -171.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.589 ' HB3' ' OE2' ' A' ' 63' ' ' GLU . 3.1 t70 -75.77 -18.67 59.45 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.575 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.403 ' HA ' ' OD2' ' A' ' 52' ' ' ASP . 24.3 tptp 62.53 65.01 0.87 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 122.14 0.971 . . . . 0.0 110.834 -176.106 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.413 ' C ' ' H ' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -110.73 -0.81 16.93 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.665 -1.152 . . . . 0.0 110.462 -179.113 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 56' ' ' SER . 2.5 m-20 71.63 -1.12 2.91 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.685 0.794 . . . . 0.0 110.374 -174.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.413 ' H ' ' C ' ' A' ' 56' ' ' SER . 96.5 m-85 -136.12 139.3 42.83 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 172.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.776 HG11 ' HB ' ' A' ' 51' ' ' ILE . 59.5 t -103.67 114.21 42.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.384 -173.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -88.17 177.39 6.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.9 0.381 . . . . 0.0 111.304 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -66.4 -46.35 76.9 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.976 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -68.79 -23.24 64.27 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.662 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.589 ' OE2' ' HB3' ' A' ' 54' ' ' ASP . 44.6 mt-10 -70.81 -39.4 73.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.075 172.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.568 ' HG ' HD13 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -62.85 -28.96 70.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.581 179.81 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.473 ' HB3' HD22 ' A' ' 66' ' ' LEU . 9.6 mptt -60.5 -55.71 30.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.872 -179.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.473 HD22 ' HB3' ' A' ' 65' ' ' LYS . 1.2 mm? -100.61 5.39 43.89 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.702 -0.399 . . . . 0.0 112.024 -175.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.597 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -58.05 -32.25 67.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.399 0.619 . . . . 0.0 109.538 178.832 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.597 ' HG ' ' CE2' ' A' ' 67' ' ' PHE . 1.2 mp -72.18 -34.02 68.12 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.667 -177.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -71.27 -19.15 62.38 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -82.8 -35.09 26.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.275 174.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -65.46 -50.27 65.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.451 176.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.9 m -150.41 137.61 19.47 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.888 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.2 -27.31 68.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.505 -172.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -99.36 16.0 59.53 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.43 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.79 150.08 26.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.994 0.426 . . . . 0.0 111.049 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.2 mtp-105 -81.87 148.79 28.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.238 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.444 ' HA ' HD13 ' A' ' 68' ' ' LEU . . . -90.27 118.75 30.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.154 173.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.5 mp -65.16 137.34 57.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.717 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.525 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 16.9 m -133.87 142.98 48.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.915 0.388 . . . . 0.0 111.665 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.2 t70 57.92 -108.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.359 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.471 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -69.64 -39.82 76.9 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -168.189 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 79' ' ' SER . 3.7 pt-20 -67.9 -34.98 77.69 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.351 -175.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.506 ' O ' ' HB2' ' A' ' 87' ' ' LEU . 3.6 m -67.56 -48.56 66.57 Favored 'General case' 0 C--O 1.216 -0.704 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 173.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -54.67 -59.74 4.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.409 -175.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.559 HG11 ' CD1' ' A' ' 25' ' ' PHE . 8.4 p -67.32 -38.81 81.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.534 0.207 . . . . 0.0 111.55 -174.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -71.53 -31.9 67.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.388 . . . . 0.0 110.343 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.755 HD12 HG12 ' A' ' 98' ' ' ILE . 13.6 tp -68.44 -47.39 67.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.467 0.651 . . . . 0.0 109.671 177.074 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -70.04 -17.45 63.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.933 -177.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.48 -29.18 66.01 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.384 0.612 . . . . 0.0 110.224 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.448 ' O ' ' HB3' ' A' ' 102' ' ' GLU . . . -107.83 -53.32 0.67 Allowed Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.842 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.634 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 22.6 t0 -65.96 99.21 0.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.155 0.502 . . . . 0.0 109.744 176.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.4 m -96.92 -16.68 20.56 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.595 -171.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.635 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 12.9 p-10 -103.06 -0.46 30.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.955 -175.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.0 53.03 4.37 Favored Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.678 -0.772 . . . . 0.0 114.409 170.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.638 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 37.1 m-20 -86.68 -21.52 26.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.225 0.512 . . . . 0.0 110.207 176.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.52 24.68 60.26 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -173.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.7 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 19.4 ptpt -158.64 175.7 13.31 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -176.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.755 HG12 HD12 ' A' ' 87' ' ' LEU . 5.9 mm -101.31 113.83 38.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.268 0.556 . . . . 0.0 110.969 177.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -71.07 136.04 24.92 Favored Glycine 0 N--CA 1.434 -1.483 0 N-CA-C 107.96 -2.056 . . . . 0.0 107.96 162.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.507 HG13 ' HB3' ' A' ' 48' ' ' PHE . 13.7 t -58.02 -42.77 83.58 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 117.549 0.675 . . . . 0.0 111.337 -174.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -71.63 -30.43 65.75 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.996 0.427 . . . . 0.0 110.081 178.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.448 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 29.8 mt-10 -65.31 -35.35 80.74 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.408 177.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.442 ' O ' ' HG2' ' A' ' 106' ' ' MET . 57.3 t80 -64.6 -42.43 95.56 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 177.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.4 -37.27 65.51 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.572 175.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.1 -30.31 71.49 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.442 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 6.0 ptp -83.71 -22.31 32.05 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.94 -178.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 103' ' ' PHE . 45.0 mt -75.38 -30.25 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 122.31 1.053 . . . . 0.0 109.032 178.088 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.1 tmmt? -94.49 -17.57 22.3 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.147 -1.388 . . . . 0.0 111.006 -177.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.653 -0.689 . . . . 0.0 110.663 179.624 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . 0.619 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . 0.638 'CA ' ' OD2' ' A' ' 95' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.0 tpt . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 120.684 0.278 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.65 139.91 41.49 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -133.3 135.78 45.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.225 0.536 . . . . 0.0 110.873 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.32 -23.09 20.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.196 177.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.8 2.69 18.83 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.862 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.408 HD13 ' HA ' ' A' ' 6' ' ' ILE . 20.8 mm -63.38 -40.77 90.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.509 0.671 . . . . 0.0 109.265 172.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.401 ' O ' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -149.41 135.39 18.88 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.611 170.481 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -94.37 114.59 26.66 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.454 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -55.5 -34.07 64.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.598 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.07 -43.7 94.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.133 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.25 -45.91 78.94 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.106 0.479 . . . . 0.0 111.027 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.14 -44.12 98.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.306 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.4 m -63.9 -34.92 79.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.835 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.27 99.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.987 0.422 . . . . 0.0 110.701 177.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.72 -37.34 82.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.661 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.0 mt -74.18 -18.48 60.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.047 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.67 -35.2 39.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.224 0.535 . . . . 0.0 109.959 173.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.89 -28.97 63.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.603 175.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.6 m -108.21 34.89 3.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.417 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -74.42 -30.02 61.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.869 177.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.21 108.44 3.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.865 175.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -62.69 130.51 45.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.82 -177.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.17 10.97 63.59 Favored Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.9 t -134.06 28.92 3.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.964 0.412 . . . . 0.0 110.263 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -69.89 125.03 25.53 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.523 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.504 ' OD1' ' HB3' ' A' ' 28' ' ' LYS . 13.6 t70 -107.8 92.95 4.28 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 173.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -47.71 -31.63 4.94 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.901 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.621 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . 7.4 ttpm? -72.53 -51.13 21.22 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.689 -176.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.79 -32.7 45.23 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.755 177.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -65.83 -57.34 8.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.602 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.621 ' CE2' ' HA ' ' A' ' 28' ' ' LYS . 1.3 p90 -64.44 -36.53 84.48 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.377 0.608 . . . . 0.0 111.207 -175.083 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.428 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 3.3 t -86.31 -20.41 28.41 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.94 -169.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -82.6 -48.83 10.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.867 177.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.402 ' CG2' ' HB2' ' A' ' 36' ' ' LEU . 6.0 m -75.08 -11.71 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.746 -175.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.86 30.46 23.45 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.919 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.461 HD12 ' HG3' ' A' ' 39' ' ' LYS . 11.6 tp -80.21 -23.17 41.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.988 0.423 . . . . 0.0 110.535 -176.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.479 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . . . -68.58 -23.14 64.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.31 -175.092 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -112.52 30.84 6.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.043 0.449 . . . . 0.0 111.349 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.461 ' HG3' HD12 ' A' ' 36' ' ' LEU . 67.7 mmtt -83.69 146.74 28.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.223 0.535 . . . . 0.0 111.202 -179.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.8 m -83.36 159.82 60.96 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.433 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -44.67 -43.85 14.32 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.451 2.767 . . . . 0.0 114.475 -174.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.91 -43.75 97.95 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 120.796 0.331 . . . . 0.0 111.747 -176.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.526 ' O ' HG23 ' A' ' 47' ' ' VAL . 9.9 t0 -70.24 -46.48 64.37 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 44' ' ' ILE . 11.4 mm -62.19 -28.29 44.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.848 177.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 21.7 tptm -62.77 -47.32 84.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.904 177.049 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.645 ' O ' HG13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -71.31 -23.55 61.97 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.036 -0.666 . . . . 0.0 110.014 177.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.591 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 91.2 t -64.64 -41.21 91.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 121.186 0.517 . . . . 0.0 109.768 171.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.671 ' CG ' HG13 ' A' ' 100' ' ' VAL . 20.9 m-30 -57.63 -32.51 67.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.569 174.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -79.25 -16.3 56.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.312 176.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.645 HG13 ' O ' ' A' ' 46' ' ' LYS . 58.6 mt -72.68 -45.88 56.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.374 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.846 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -66.01 -33.74 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.358 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.409 ' CA ' HG22 ' A' ' 59' ' ' VAL . 42.3 t0 -82.18 56.7 3.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.256 176.126 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -23.22 67.19 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.83 0.348 . . . . 0.0 111.741 -173.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -85.16 -16.1 41.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.148 0.499 . . . . 0.0 110.658 175.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.93 62.38 2.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.641 176.014 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 m -120.63 5.05 10.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.423 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 70.64 13.6 7.27 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 114.869 -1.06 . . . . 0.0 110.888 -176.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -132.83 136.25 46.14 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 168.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.846 HG11 ' HB ' ' A' ' 51' ' ' ILE . 58.7 t -120.41 82.73 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.272 -169.255 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -80.79 175.82 10.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.843 0.354 . . . . 0.0 111.731 -176.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -56.27 -37.63 70.08 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 177.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.5 -34.46 69.1 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.173 177.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.626 ' OE2' 'CA ' ' A' ' 201' ' ' ' CA' . 1.1 mp0 -69.52 -44.14 71.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.865 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.551 ' HG ' ' CD2' ' A' ' 87' ' ' LEU . 4.3 mm? -63.64 -19.58 64.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.454 -177.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.447 ' HB2' HD22 ' A' ' 66' ' ' LEU . 28.4 mmtm -63.62 -51.66 64.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.98 0.419 . . . . 0.0 110.601 174.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.447 HD22 ' HB2' ' A' ' 65' ' ' LYS . 1.3 mm? -101.02 5.14 42.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.513 -177.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.531 ' CD1' HG22 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -51.85 -36.91 49.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.5 173.269 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.748 HD22 ' H ' ' A' ' 68' ' ' LEU . 1.7 mm? -63.11 -46.49 87.1 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.068 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.516 ' HA ' ' O ' ' A' ' 72' ' ' SER . 79.3 mt-30 -71.56 -10.52 59.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.787 -178.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.618 ' ND2' ' HA ' ' A' ' 50' ' ' ILE . 60.1 t30 -90.61 -33.17 15.97 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 177.029 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.46 -44.24 62.61 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 174.177 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.516 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 49.0 m -149.78 122.2 8.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.084 175.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.52 -28.66 63.66 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -172.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -101.11 58.05 0.68 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.337 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -121.48 163.43 18.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.925 0.393 . . . . 0.0 111.447 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.458 ' H ' ' HD2' ' A' ' 76' ' ' ARG . 0.5 OUTLIER -87.12 142.39 27.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.723 -178.704 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.55 119.0 27.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.635 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.0 mp -64.56 150.21 47.28 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.405 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.0 p -135.7 129.36 32.57 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 113.855 1.058 . . . . 0.0 113.855 -174.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.5 t70 54.38 -98.2 0.08 Allowed 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 114.361 -1.291 . . . . 0.0 113.24 168.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.412 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -66.04 -37.62 86.32 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.748 0.309 . . . . 0.0 111.813 -168.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -77.2 -38.81 50.71 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.215 -176.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.552 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 3.0 m -64.71 -37.93 89.28 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 120.776 0.322 . . . . 0.0 110.305 174.27 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -60.06 -58.14 9.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.066 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 81' ' ' ALA . 5.8 p -66.17 -29.43 46.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.072 0.463 . . . . 0.0 110.726 -178.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -70.23 -34.0 72.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.543 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 83' ' ' THR . 77.9 mt -66.83 -48.94 67.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.057 0.456 . . . . 0.0 110.133 174.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -69.16 -17.6 63.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.353 -175.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.16 -27.4 67.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.382 0.611 . . . . 0.0 110.162 174.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.523 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -118.67 -58.78 0.27 Allowed Glycine 0 N--CA 1.441 -1.006 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.574 -178.405 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 11.4 t70 -64.27 107.31 1.29 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.7 p -85.02 -25.62 27.57 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.147 0.498 . . . . 0.0 110.175 -170.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -83.94 -23.92 30.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.148 -178.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 78.17 43.23 13.8 Favored Glycine 0 C--N 1.331 0.292 0 CA-C-N 115.837 -0.62 . . . . 0.0 113.314 172.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.629 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 7.4 p-10 -98.05 19.64 13.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.914 0.388 . . . . 0.0 111.723 -175.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.41 29.01 51.09 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 120.642 -0.789 . . . . 0.0 113.47 173.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.573 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 10.8 ptpt -145.34 177.88 8.5 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-O 121.23 0.538 . . . . 0.0 109.793 -178.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.598 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 9.3 mm -113.56 105.29 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 CA-C-N 114.869 -1.06 . . . . 0.0 108.735 166.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.68 138.1 48.41 Favored Glycine 0 N--CA 1.433 -1.558 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 169.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.671 HG13 ' CG ' ' A' ' 48' ' ' PHE . 3.3 t -55.81 -48.21 78.5 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 CA-C-O 120.971 0.415 . . . . 0.0 110.75 -178.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -68.99 -33.54 73.83 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.204 0.526 . . . . 0.0 110.042 176.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.523 ' HB3' ' C ' ' A' ' 90' ' ' GLY . 5.4 mm-40 -59.27 -43.56 92.5 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.551 177.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.598 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . 30.6 t80 -66.3 -45.04 81.76 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.875 -177.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.19 -32.49 60.16 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.858 -0.686 . . . . 0.0 111.694 178.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.77 -32.71 73.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.569 -0.316 . . . . 0.0 111.687 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.5 ptp -81.62 -21.67 38.12 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.666 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.456 HD11 ' CD2' ' A' ' 103' ' ' PHE . 64.1 mt -76.66 -37.65 29.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 122.041 0.924 . . . . 0.0 108.967 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.406 ' HD2' ' C ' ' A' ' 108' ' ' LYS . 0.7 OUTLIER -83.55 -27.55 29.22 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.244 -1.343 . . . . 0.0 109.886 178.854 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.255 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.825 -178.691 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . 0.626 'CA ' ' OE2' ' A' ' 63' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . 0.629 'CA ' ' OD1' ' A' ' 95' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.12 166.29 23.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.041 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.466 ' CE1' ' HA ' ' A' ' 72' ' ' SER . 70.3 m-85 -86.6 49.87 1.89 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.133 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 70.0 142.58 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.255 -175.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.07 6.03 5.84 Favored Glycine 0 C--N 1.331 0.263 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.443 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.6 mt -56.09 -37.74 50.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.503 0.668 . . . . 0.0 109.222 169.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.445 ' HB2' HD13 ' A' ' 12' ' ' ILE . 4.3 pp -125.08 157.58 35.93 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.985 178.097 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -101.82 123.77 46.34 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 172.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -55.11 -30.06 58.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.134 0.492 . . . . 0.0 110.202 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.43 -33.97 63.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.746 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.471 ' OD1' ' HA ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -80.78 -39.23 27.15 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.252 0.548 . . . . 0.0 110.055 -176.611 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.445 HD13 ' HB2' ' A' ' 7' ' ' LEU . 1.4 mp -60.18 -47.05 93.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.321 172.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.5 m -64.17 -31.9 73.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.24 95.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.793 0.33 . . . . 0.0 111.193 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.18 -38.22 75.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.951 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.709 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 92.4 mt -68.95 -23.09 64.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.8 0.333 . . . . 0.0 110.922 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.22 -30.31 48.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.13 0.491 . . . . 0.0 110.25 174.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.83 -30.96 64.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.166 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.709 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 26.7 p -100.84 21.64 13.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.674 177.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -70.88 -34.54 71.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.165 0.507 . . . . 0.0 110.161 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.97 138.53 38.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.532 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -63.17 130.89 46.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.011 0.434 . . . . 0.0 110.42 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.97 -21.19 38.11 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.028 -176.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.4 t -87.57 15.96 6.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.509 0.671 . . . . 0.0 110.053 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.425 ' HA ' ' HB2' ' A' ' 19' ' ' CYS . 81.1 m-85 -80.02 97.12 6.67 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.391 177.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -105.59 92.65 4.28 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -52.32 -34.93 49.32 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.354 0.597 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.527 ' O ' HG22 ' A' ' 32' ' ' THR . 57.1 tttp -76.49 -48.75 18.5 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.506 -176.14 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.459 ' HA ' ' CG2' ' A' ' 32' ' ' THR . . . -60.0 -32.25 70.69 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.102 177.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.418 ' O ' HG22 ' A' ' 34' ' ' VAL . 62.1 t80 -55.9 -56.3 22.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.337 174.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.409 ' CD2' ' HA ' ' A' ' 107' ' ' ILE . 26.1 m-85 -63.13 -41.45 99.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.917 -176.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 28' ' ' LYS . 4.8 t -76.45 -21.62 55.67 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.527 -178.079 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -79.84 -48.58 13.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.653 0.263 . . . . 0.0 110.731 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.471 ' HA ' ' OD1' ' A' ' 11' ' ' ASP . 30.1 m -74.5 -12.32 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-O 120.941 0.4 . . . . 0.0 111.194 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.46 19.65 58.11 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.531 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.477 HD11 HG21 ' A' ' 47' ' ' VAL . 17.5 tp -83.17 6.89 17.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.166 0.507 . . . . 0.0 110.793 -176.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.56 -10.49 31.94 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 170.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.91 23.09 11.24 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 121.435 0.636 . . . . 0.0 111.086 -177.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -74.98 173.44 10.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.489 179.764 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.42 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 19.4 m -103.97 160.12 27.12 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.638 171.206 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 40' ' ' SER . 1.3 Cg_endo -44.31 -47.8 10.44 Favored 'Trans proline' 0 CA--C 1.535 0.56 0 C-N-CA 123.315 2.677 . . . . 0.0 114.02 -178.018 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.6 -31.38 72.58 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.726 0.298 . . . . 0.0 111.635 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.671 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 47.1 m-20 -67.85 -42.63 81.1 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 179.143 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.443 HD13 ' HA ' ' A' ' 44' ' ' ILE . 4.9 mm -70.52 -27.79 32.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.786 177.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 4.2 tppp? -60.89 -45.63 93.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.312 . . . . 0.0 110.727 177.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.671 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -70.89 -26.38 63.2 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.881 178.392 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.56 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 83.3 t -66.79 -35.78 75.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.901 0.381 . . . . 0.0 110.493 173.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.424 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 18.0 m-30 -57.97 -40.62 81.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.231 0.539 . . . . 0.0 110.219 173.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.91 -27.39 67.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.482 174.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.651 HG12 ' O ' ' A' ' 46' ' ' LYS . 22.7 mm -64.27 -50.09 78.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.537 -175.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.876 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -67.32 -34.9 71.92 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.287 -178.894 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.51 ' HA ' ' HG2' ' A' ' 63' ' ' GLU . 14.0 t0 -82.92 78.78 9.46 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.9 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.58 ' H ' ' HG3' ' A' ' 63' ' ' GLU . 5.5 tp60 -46.39 -46.59 18.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.289 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.661 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 0.1 OUTLIER -94.37 -12.57 27.66 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.593 -175.608 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.412 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 81.5 tttt 59.92 63.76 1.4 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 122.308 1.051 . . . . 0.0 111.178 -178.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.6 t -105.92 20.21 19.3 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.607 -1.179 . . . . 0.0 109.61 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.9 p30 52.13 17.81 0.75 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.712 1.205 . . . . 0.0 111.856 -175.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -150.05 115.36 5.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.427 176.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.876 HG11 ' HB ' ' A' ' 51' ' ' ILE . 50.3 t -93.75 98.4 8.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.372 -172.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.556 ' O ' ' HB2' ' A' ' 63' ' ' GLU . 78.9 mm-40 -84.31 -173.42 4.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.395 -178.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.403 ' HG3' HD11 ' A' ' 87' ' ' LEU . 37.1 tt0 -72.17 -36.07 69.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.149 -0.344 . . . . 0.0 110.677 179.13 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.87 -23.16 67.18 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.114 0.483 . . . . 0.0 109.889 176.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.58 ' HG3' ' H ' ' A' ' 53' ' ' GLN . 0.5 OUTLIER -64.06 -58.82 5.53 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.854 172.178 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.511 ' HG ' ' CD2' ' A' ' 87' ' ' LEU . 4.5 mm? -61.62 -19.42 62.23 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.979 -174.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.608 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -65.05 -57.16 9.37 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.084 0.469 . . . . 0.0 110.739 176.861 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 68.3 mt -103.21 4.71 37.05 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -176.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.52 ' HD2' HG22 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -61.6 -26.85 68.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.959 0.885 . . . . 0.0 108.718 177.828 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 65' ' ' LYS . 1.2 mt -65.84 -37.4 86.12 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.629 -1.169 . . . . 0.0 110.325 178.189 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.505 ' HA ' ' O ' ' A' ' 72' ' ' SER . 83.4 mm-40 -74.67 -14.94 60.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.897 177.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.522 ' HB2' ' OE1' ' A' ' 53' ' ' GLN . 63.9 t30 -85.95 -19.48 30.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.292 174.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -96.83 -33.4 11.67 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.639 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.505 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 13.2 p -163.72 151.65 13.0 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.287 -179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.27 -14.79 39.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.703 0.287 . . . . 0.0 111.73 -176.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -105.1 19.08 41.39 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.42 168.12 19.36 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.015 0.436 . . . . 0.0 111.3 -178.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.507 ' O ' HD13 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -115.51 130.31 56.83 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -178.85 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.477 ' HA ' ' CD1' ' A' ' 68' ' ' LEU . . . -72.74 128.09 34.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.148 0.499 . . . . 0.0 111.595 -178.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.41 HD13 HD11 ' A' ' 68' ' ' LEU . 9.4 mp -79.28 149.44 31.82 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.937 177.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 80' ' ' ASP . 8.2 p -177.56 75.68 0.02 OUTLIER 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.341 0.591 . . . . 0.0 111.874 176.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.46 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 18.2 t70 176.69 -145.98 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.447 ' H ' ' CG ' ' A' ' 80' ' ' ASP . . . -66.28 -16.43 64.02 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -177.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -33.02 24.18 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 120.205 -0.598 . . . . 0.0 109.714 -170.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.62 -37.68 85.38 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 171.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.502 ' HA ' ' HE2' ' A' ' 84' ' ' LYS . 11.8 mmpt? -59.05 -59.24 5.79 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.937 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 81' ' ' ALA . 48.9 t -64.9 -39.61 86.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.333 -176.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -68.35 -34.7 76.57 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.625 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.569 HD23 HG12 ' A' ' 98' ' ' ILE . 58.2 mt -67.8 -50.78 55.03 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.802 0.334 . . . . 0.0 110.305 174.15 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -66.35 -17.09 64.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.795 -176.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.37 -31.89 71.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.122 0.487 . . . . 0.0 109.9 172.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.545 ' O ' ' HB3' ' A' ' 102' ' ' GLU . . . -102.6 -49.04 1.22 Allowed Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.379 177.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.662 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 14.1 t0 -59.46 97.74 0.04 OUTLIER 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.022 0.439 . . . . 0.0 110.373 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.8 m -98.94 -8.89 24.84 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.25 0.548 . . . . 0.0 109.594 178.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.626 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 11.9 m-20 -87.84 -19.87 26.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.839 -175.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.25 33.04 29.86 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 -173.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.711 ' OD1' ' HG2' ' A' ' 97' ' ' LYS . 3.2 p30 -95.7 -15.74 22.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.493 -0.354 . . . . 0.0 111.653 -175.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.83 27.78 52.65 Favored Glycine 0 N--CA 1.454 -0.155 0 C-N-CA 121.121 -0.562 . . . . 0.0 112.941 175.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.711 ' HG2' ' OD1' ' A' ' 95' ' ' ASP . 10.9 ptpt -148.38 178.13 8.85 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -178.022 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.659 ' O ' ' HB ' ' A' ' 59' ' ' VAL . 16.0 mm -103.32 108.02 23.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.019 0.437 . . . . 0.0 110.717 176.119 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -66.65 137.53 34.63 Favored Glycine 0 N--CA 1.436 -1.354 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 166.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 42.4 t -57.03 -48.76 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 116.997 0.398 . . . . 0.0 110.825 -176.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -69.36 -31.81 70.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.943 0.401 . . . . 0.0 110.438 176.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.545 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 35.4 mt-10 -63.5 -37.04 85.76 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.704 177.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.53 ' O ' HG13 ' A' ' 107' ' ' ILE . 41.0 t80 -65.05 -48.52 73.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.248 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -54.09 -39.49 63.7 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.952 177.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.08 -37.97 89.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.703 -0.248 . . . . 0.0 111.375 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.0 ptp -70.54 -24.93 62.89 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.556 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 103' ' ' PHE . 59.9 mt -75.39 -34.1 29.35 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 CA-C-O 121.935 0.874 . . . . 0.0 109.521 -179.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -90.25 -8.72 50.29 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.363 -1.29 . . . . 0.0 111.144 -178.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.833 0 CA-C-O 118.488 -0.767 . . . . 0.0 110.971 179.555 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . 0.661 'CA ' ' OD1' ' A' ' 54' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . 0.651 'CA ' ' OD2' ' A' ' 95' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 120.895 0.379 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.2 128.85 13.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.77 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -152.89 125.77 8.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.089 0.471 . . . . 0.0 110.043 177.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.71 -11.07 59.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.833 -176.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.0 -25.62 10.6 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.91 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.9 mt -53.66 -51.92 38.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 173.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.523 ' H ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -120.0 137.41 54.1 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.341 173.695 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.463 ' HB2' ' HB2' ' A' ' 11' ' ' ASP . 12.6 m-80 -94.4 114.49 26.54 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 175.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -51.67 -39.48 58.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.81 -178.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.93 -35.4 74.52 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.369 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.463 ' HB2' ' HB2' ' A' ' 8' ' ' ASN . 1.6 t0 -72.4 -48.72 39.26 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.349 0.595 . . . . 0.0 109.829 -177.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -55.23 -53.94 29.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.4 176.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 92.7 m -54.38 -34.85 62.05 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.741 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.4 ' HB3' ' HZ2' ' A' ' 33' ' ' LYS . . . -64.99 -45.88 83.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.185 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.527 ' HB2' ' CD ' ' A' ' 33' ' ' LYS . . . -60.33 -41.64 93.95 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.825 174.252 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.474 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 4.0 mm? -56.82 -45.16 82.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 177.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.58 -25.68 66.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.046 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.66 -43.64 22.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.861 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.474 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 22.7 p -78.75 -8.33 58.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.418 ' HD2' ' O ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -65.25 -38.32 89.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.543 178.38 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.3 114.54 3.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.034 -178.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -60.65 130.14 45.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.506 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.03 -13.06 64.21 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.283 -177.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.1 t -126.8 49.37 2.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.642 0.734 . . . . 0.0 109.867 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.431 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 8.5 p90 -104.84 129.36 53.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.562 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.46 88.63 2.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.579 0.704 . . . . 0.0 110.719 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.616 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 3.6 t60 -68.35 -29.57 68.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.722 -177.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.433 ' O ' HG22 ' A' ' 32' ' ' THR . 65.4 tttp -65.61 -41.59 92.58 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 175.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.483 ' HA ' ' CG2' ' A' ' 32' ' ' THR . . . -62.37 -31.34 71.98 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.991 177.103 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.616 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 61.4 t80 -55.92 -50.25 71.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.618 174.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -63.58 -45.94 88.11 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.165 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.483 ' CG2' ' HA ' ' A' ' 29' ' ' ALA . 2.8 t -75.99 -22.73 55.53 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -174.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.527 ' CD ' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -81.48 -35.97 29.87 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 122.284 -0.26 . . . . 0.0 110.727 -179.028 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.5 m -86.61 -12.39 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-O 121.229 0.538 . . . . 0.0 110.52 177.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.08 30.15 43.45 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.379 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.478 HD11 HG21 ' A' ' 47' ' ' VAL . 9.7 tp -76.33 -29.12 57.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 111.147 -176.065 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.14 -17.0 62.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.891 0.377 . . . . 0.0 111.005 -177.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -108.76 26.24 10.79 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.532 ' HD2' ' OD2' ' A' ' 43' ' ' ASP . 38.2 mmtm -89.52 161.72 16.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.114 0.483 . . . . 0.0 111.251 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.0 m -79.53 150.33 73.1 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.045 -178.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -47.55 -55.05 4.3 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.117 2.544 . . . . 0.0 113.935 -176.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.463 ' O ' ' HB3' ' A' ' 45' ' ' LYS . . . -63.54 -30.59 71.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 0.0 111.381 -177.202 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.595 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 33.2 t70 -73.5 -46.56 47.16 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.97 0.414 . . . . 0.0 110.328 178.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.45 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 0.1 OUTLIER -63.08 -21.82 29.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.13 0.491 . . . . 0.0 110.209 174.923 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 3.7 tppp? -67.67 -43.88 79.15 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.15 175.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.717 ' O ' HG13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -69.59 -24.73 63.72 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.48 176.527 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.589 ' HA ' HD12 ' A' ' 50' ' ' ILE . 98.4 t -63.78 -39.7 86.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 171.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.855 ' HA ' HD11 ' A' ' 51' ' ' ILE . 18.7 m-30 -61.03 -29.39 69.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.512 177.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.679 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 7.2 pt-20 -84.5 -15.38 46.13 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.003 176.256 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.717 HG13 ' O ' ' A' ' 46' ' ' LYS . 46.9 mt -71.02 -40.12 75.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.305 177.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.855 HD11 ' HA ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -63.46 -26.89 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 120.091 -0.643 . . . . 0.0 109.542 177.175 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.605 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 32.9 t0 -86.09 72.45 10.42 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 175.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.424 ' OE1' ' HB3' ' A' ' 66' ' ' LEU . 6.0 tt0 -53.13 -38.3 62.56 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.592 0.711 . . . . 0.0 110.981 -177.272 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -77.09 -19.09 57.49 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.774 -178.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt 56.46 63.08 2.08 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.581 0.705 . . . . 0.0 111.282 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.455 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -123.79 5.53 8.78 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.804 -177.398 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.455 ' HB2' ' O ' ' A' ' 56' ' ' SER . 4.3 m-20 76.79 7.64 3.17 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 124.019 0.824 . . . . 0.0 110.619 -178.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -134.91 121.83 21.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.296 176.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.832 HG11 ' HB ' ' A' ' 51' ' ' ILE . 84.8 t -103.19 111.4 32.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.306 -176.254 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -93.55 -175.5 3.8 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -77.99 -50.17 12.64 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 122.549 0.34 . . . . 0.0 110.871 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -65.32 -21.48 66.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.087 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.71 -37.48 82.31 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.242 171.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.633 ' HA ' ' HB3' ' A' ' 67' ' ' PHE . 0.2 OUTLIER -72.3 -20.26 61.53 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.596 -179.793 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.421 ' O ' HD23 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -64.23 -47.86 78.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.943 0.401 . . . . 0.0 110.547 175.046 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.424 ' HB3' ' OE1' ' A' ' 53' ' ' GLN . 1.9 mp -101.48 4.69 41.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.226 0.536 . . . . 0.0 111.441 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.633 ' HB3' ' HA ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -53.34 -32.6 49.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.46 172.788 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.706 HD22 ' H ' ' A' ' 68' ' ' LEU . 1.9 mm? -66.12 -42.3 89.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.036 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -66.99 -20.33 65.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.032 0.444 . . . . 0.0 110.115 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -83.53 -28.7 28.46 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -78.51 -53.91 6.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.572 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.9 m -152.41 137.89 17.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.701 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.64 -25.95 67.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.813 -174.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -96.51 12.62 66.22 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.814 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.79 137.42 33.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.926 0.393 . . . . 0.0 110.707 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.568 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 30.5 mmt180 -75.97 138.01 40.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.225 -178.209 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.467 ' HA ' HD23 ' A' ' 68' ' ' LEU . . . -68.06 117.32 9.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.001 0.429 . . . . 0.0 110.263 177.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.521 ' HB3' ' HG3' ' A' ' 82' ' ' GLU . 75.5 mt -68.73 113.65 6.39 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.936 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.6 m -125.18 167.19 15.17 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.736 -171.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 63.73 -131.09 0.41 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.278 -0.873 . . . . 0.0 111.541 174.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.65 -26.03 64.21 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.216 -172.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.695 ' O ' ' HB2' ' A' ' 86' ' ' PHE . 11.3 tp10 -57.17 -50.39 72.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 177.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.905 ' O ' ' HB3' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -70.48 -51.22 30.58 Favored 'General case' 0 C--O 1.206 -1.223 0 C-N-CA 119.41 -0.916 . . . . 0.0 110.463 177.602 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -50.85 -53.89 28.49 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.321 -0.862 . . . . 0.0 111.45 -176.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.0 t -76.79 -49.02 24.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 120.921 0.391 . . . . 0.0 111.89 -175.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.695 ' HB2' ' O ' ' A' ' 82' ' ' GLU . 24.1 m-85 -87.14 -19.24 28.77 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -169.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.905 ' HB3' ' O ' ' A' ' 83' ' ' THR . 0.0 OUTLIER -80.7 -28.61 36.64 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 170.154 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -78.36 -16.17 57.95 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.5 171.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.6 -37.05 62.62 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.236 0.541 . . . . 0.0 110.544 176.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.639 ' O ' ' HB3' ' A' ' 102' ' ' GLU . . . -87.12 -50.87 3.52 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.233 176.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.484 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 31.4 t0 -60.32 98.74 0.06 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.393 0.616 . . . . 0.0 110.347 -178.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.5 m -92.23 -27.18 17.8 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.023 -171.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.622 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 11.3 p-10 -86.94 -7.1 58.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.614 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 64.88 44.18 95.0 Favored Glycine 0 C--N 1.332 0.33 0 CA-C-N 115.218 -0.901 . . . . 0.0 113.119 173.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -96.55 -17.44 20.46 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 121.218 -0.193 . . . . 0.0 111.135 -175.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.02 30.01 5.58 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.16 -1.019 . . . . 0.0 112.961 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 15.7 ptmt -144.29 172.51 12.83 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.661 ' O ' ' HB ' ' A' ' 59' ' ' VAL . 1.8 mm -106.18 104.02 16.35 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 165.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.413 ' HA3' ' HG3' ' A' ' 102' ' ' GLU . . . -64.39 137.32 40.0 Favored Glycine 0 N--CA 1.427 -1.925 0 N-CA-C 108.739 -1.745 . . . . 0.0 108.739 168.005 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.613 HG13 ' CG ' ' A' ' 48' ' ' PHE . 3.2 t -55.93 -43.0 73.38 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 CA-C-O 121.348 0.594 . . . . 0.0 110.47 -179.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -69.32 -36.94 77.46 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.342 175.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.639 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 21.6 mt-10 -62.74 -37.32 86.12 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.578 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.502 ' HB2' HG23 ' A' ' 98' ' ' ILE . 47.1 t80 -66.07 -46.39 77.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.803 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.35 -37.76 66.71 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.026 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.66 91.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.589 -0.306 . . . . 0.0 111.429 178.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.9 ptp -72.28 -26.08 61.84 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.656 -177.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.474 HD11 ' CE2' ' A' ' 103' ' ' PHE . 54.9 mt -74.28 -35.18 39.33 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 CA-C-O 121.906 0.86 . . . . 0.0 109.263 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -94.02 -9.33 37.17 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.339 -1.301 . . . . 0.0 111.214 -174.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.632 -0.699 . . . . 0.0 111.026 -179.056 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . 0.605 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . 0.622 'CA ' ' OD1' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.7 118.81 13.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.368 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 55.73 52.02 11.54 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.141 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 66.45 2.02 2.3 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.327 177.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 76.83 9.87 86.33 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.18 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.463 ' O ' ' HE3' ' A' ' 39' ' ' LYS . 40.2 mm -65.23 -40.1 87.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 174.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.51 ' O ' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -138.07 144.34 40.89 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.842 178.453 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -86.34 106.61 17.51 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -48.9 -38.73 23.51 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.786 -176.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.0 88.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.688 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.32 -38.58 78.3 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 120.728 0.299 . . . . 0.0 111.321 -177.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.448 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.8 mp -59.55 -51.88 67.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 174.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.8 m -54.74 -36.48 64.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.256 176.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.71 -32.6 72.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.884 0.373 . . . . 0.0 111.192 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.12 -42.38 69.31 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 174.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 12' ' ' ILE . 4.5 mm? -59.09 -35.2 72.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.446 174.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.69 -33.68 75.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.358 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.35 -18.39 60.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.959 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 24' ' ' SER . 26.3 p -121.71 30.57 6.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.218 0.532 . . . . 0.0 110.444 177.307 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -77.79 -31.48 51.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.102 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.03 125.95 33.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.479 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.08 130.14 44.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.037 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.97 3.86 87.49 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.396 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.474 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 41.1 t -125.2 68.24 1.13 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.185 0.517 . . . . 0.0 109.866 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -125.11 144.33 50.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.074 -177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.405 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 9.5 t70 -137.08 98.45 3.75 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 173.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.451 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 2.1 p80 -57.25 -32.36 66.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.695 -176.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.482 ' O ' HG22 ' A' ' 32' ' ' THR . 69.7 tttt -79.03 -43.09 24.96 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.193 -174.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.559 ' O ' ' HB2' ' A' ' 33' ' ' LYS . . . -56.69 -36.79 70.04 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.689 174.05 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.451 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 74.1 t80 -55.01 -55.11 34.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.631 175.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.414 ' CD2' ' HA ' ' A' ' 107' ' ' ILE . 16.7 m-85 -66.6 -43.74 84.01 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.648 -176.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 28' ' ' LYS . 9.8 t -73.07 -23.96 60.62 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.507 -176.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.559 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 75.3 tttt -74.79 -46.06 39.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.872 0.368 . . . . 0.0 110.23 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.5 m -84.13 -9.84 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.695 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.16 35.08 31.26 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.329 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.463 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -82.03 -32.76 30.33 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.646 -0.326 . . . . 0.0 111.193 -177.577 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.28 -17.77 64.95 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.266 0.555 . . . . 0.0 110.234 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.38 1.64 41.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.519 178.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HE3' ' O ' ' A' ' 6' ' ' ILE . 38.0 mmtm -70.17 144.02 52.1 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.218 0.532 . . . . 0.0 111.184 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.5 m -79.26 161.63 67.07 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.454 -177.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -44.09 -46.45 11.18 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.165 2.577 . . . . 0.0 113.662 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.01 -44.54 96.51 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.003 0.43 . . . . 0.0 111.37 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.618 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 18.8 m-20 -64.53 -45.7 86.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.277 0.561 . . . . 0.0 109.712 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.432 HG23 ' CE1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -62.84 -32.83 57.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.214 179.405 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 2.9 tppp? -64.86 -44.78 88.63 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 120.677 0.275 . . . . 0.0 111.243 -178.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.649 ' O ' HG13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -67.76 -27.99 67.24 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.133 -0.627 . . . . 0.0 109.559 178.238 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 43' ' ' ASP . 93.2 t -65.67 -40.43 87.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.264 175.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.613 ' HA ' HD11 ' A' ' 51' ' ' ILE . 12.8 m-30 -55.29 -34.28 63.98 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.401 174.236 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -81.78 -15.94 52.62 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.081 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.649 HG13 ' O ' ' A' ' 46' ' ' LYS . 60.1 mt -73.41 -40.32 56.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 O-C-N 122.004 -0.435 . . . . 0.0 111.595 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.613 HD11 ' HA ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -66.34 -19.18 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-O 121.641 0.734 . . . . 0.0 109.047 175.687 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.557 ' HB2' HG12 ' A' ' 59' ' ' VAL . 30.7 t0 -100.27 61.47 1.07 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.837 -1.074 . . . . 0.0 108.994 174.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.437 HE21 ' HB2' ' A' ' 53' ' ' GLN . 2.0 pt20 -53.64 -35.32 60.86 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.134 0.492 . . . . 0.0 111.392 -174.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.73 ' HB3' ' OE2' ' A' ' 63' ' ' GLU . 6.0 t70 -76.47 -18.97 58.5 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.849 -178.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.3 tptm 64.76 64.8 0.65 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 122.099 0.952 . . . . 0.0 111.493 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.459 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -117.75 1.16 12.14 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.108 -175.71 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 56' ' ' SER . 4.1 m-20 74.41 -1.41 3.08 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.754 0.822 . . . . 0.0 110.764 -176.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -139.3 129.08 24.74 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.728 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 0.7 OUTLIER -99.8 122.72 51.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.447 0.641 . . . . 0.0 110.316 -177.59 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -94.75 179.54 5.21 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.853 176.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -69.84 -40.92 75.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.789 0.328 . . . . 0.0 110.703 178.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -60.56 -30.64 69.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.326 178.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.73 ' OE2' ' HB3' ' A' ' 54' ' ' ASP . 49.4 mt-10 -73.82 -34.8 64.72 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.684 176.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.644 ' HG ' HD21 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -69.04 -27.1 65.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.995 0.426 . . . . 0.0 110.804 177.03 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.449 ' HB3' HD22 ' A' ' 66' ' ' LEU . 11.4 mptt -62.86 -52.87 61.43 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.776 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.485 HD12 ' NE2' ' A' ' 69' ' ' GLN . 1.3 mm? -100.32 6.7 44.62 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 -178.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.46 ' CD1' HG22 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -49.44 -36.36 22.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.491 0.662 . . . . 0.0 109.3 170.331 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.671 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.3 mm? -62.67 -45.65 91.83 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.295 178.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.485 ' NE2' HD12 ' A' ' 66' ' ' LEU . 79.4 mt-30 -72.27 -8.37 54.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.762 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -95.66 -23.54 16.97 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -80.84 -48.19 12.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.137 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.5 m -150.3 144.05 25.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.717 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.64 -21.58 63.54 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -168.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -105.55 2.24 39.52 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.25 -0.976 . . . . 0.0 112.591 -177.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.09 142.89 56.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.03 0.443 . . . . 0.0 111.385 -176.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.538 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 21.7 mmt180 -82.31 147.74 28.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.259 -176.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.66 127.82 34.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.886 0.374 . . . . 0.0 110.94 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.4 mp -77.11 141.23 40.3 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.349 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.615 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 53.5 m -143.21 167.98 20.84 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.718 -0.219 . . . . 0.0 110.476 176.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 59.93 -130.85 0.97 Allowed 'General case' 0 C--O 1.236 0.342 0 O-C-N 123.432 0.458 . . . . 0.0 111.407 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.23 -33.15 73.86 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.191 -170.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.615 ' HG2' ' O ' ' A' ' 79' ' ' SER . 1.9 pm0 -67.4 -25.41 65.93 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.161 -175.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.597 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 1.5 m -78.48 -45.85 21.1 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.06 -0.656 . . . . 0.0 109.56 174.36 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -64.19 -46.18 85.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.348 -175.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.8 t -70.65 -37.81 70.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.81 0.338 . . . . 0.0 110.344 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -63.72 -36.55 84.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.473 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.706 ' HA ' HD11 ' A' ' 98' ' ' ILE . 97.7 mt -64.38 -51.19 64.5 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 174.151 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -62.23 -17.15 57.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.411 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.4 -31.51 72.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.773 0.321 . . . . 0.0 110.744 177.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -121.72 -43.36 0.42 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.495 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.525 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 24.6 t0 -66.79 112.94 4.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.951 0.405 . . . . 0.0 110.405 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.4 t -98.14 -7.7 29.01 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.06 -175.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.603 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 0.8 OUTLIER -94.76 -21.23 18.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.579 -174.269 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 78.83 36.19 29.43 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.385 -177.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -79.2 -20.4 48.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.087 0.47 . . . . 0.0 110.166 -176.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.51 28.94 41.59 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 -171.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.728 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 6.8 ptmt -143.15 174.5 10.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.753 -0.723 . . . . 0.0 109.494 -171.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.706 HD11 ' HA ' ' A' ' 87' ' ' LEU . 25.0 mm -115.14 105.31 18.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 167.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.55 137.21 50.41 Favored Glycine 0 N--CA 1.436 -1.358 0 N-CA-C 108.403 -1.879 . . . . 0.0 108.403 167.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.5 m -55.08 -46.71 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.113 0 CA-C-N 117.774 0.787 . . . . 0.0 111.57 -173.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -78.8 -17.56 55.54 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.275 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.413 ' CD ' ' HA ' ' A' ' 91' ' ' ASP . 25.9 mt-10 -68.83 -36.25 77.96 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 172.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.661 ' CE2' HD11 ' A' ' 107' ' ' ILE . 23.6 t80 -64.69 -48.58 74.18 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.086 178.316 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.63 -36.62 65.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.106 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.79 -36.95 83.58 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.529 0.196 . . . . 0.0 111.529 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.413 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 5.4 ptp -74.28 -24.56 59.27 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.705 -178.101 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.661 HD11 ' CE2' ' A' ' 103' ' ' PHE . 64.7 mt -78.81 -31.84 15.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.639 0.733 . . . . 0.0 109.794 -178.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.85 -12.61 41.38 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.728 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.735 -0.65 . . . . 0.0 111.413 -178.784 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . 0.603 'CA ' ' OD2' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.9 ttt . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.52 0.2 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.457 ' HB2' ' OD1' ' A' ' 9' ' ' ASP . . . -127.69 131.21 49.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.26 -178.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.6 t80 46.93 76.52 0.1 Allowed 'General case' 0 C--O 1.236 0.368 0 O-C-N 124.285 0.991 . . . . 0.0 111.571 175.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 64.94 16.31 10.45 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.3 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.44 22.26 63.33 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.399 -177.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.0 mt -67.87 -34.78 69.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.456 ' H ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -138.97 157.93 45.12 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.347 175.592 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -100.96 137.58 39.15 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.457 ' OD1' ' HB2' ' A' ' 2' ' ' ALA . 8.5 m-20 -53.82 -38.35 64.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.438 0.637 . . . . 0.0 109.527 174.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.07 -46.15 65.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.19 -177.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.431 ' OD1' ' HA ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -72.76 -41.41 65.12 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.06 0.457 . . . . 0.0 110.757 -174.282 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.463 HD12 HG22 ' A' ' 34' ' ' VAL . 1.4 tp -60.94 -39.26 81.48 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.995 177.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.3 m -75.9 -33.84 59.93 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.919 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.17 -51.64 68.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.877 0.37 . . . . 0.0 110.981 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.444 ' HB2' ' HG3' ' A' ' 33' ' ' LYS . . . -63.71 -44.29 94.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.813 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.682 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 88.8 mt -67.58 -19.02 65.2 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.489 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.66 -34.08 40.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.582 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.76 -34.55 58.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.461 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.682 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 29.4 p -94.09 26.37 3.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -78.93 -12.21 60.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.232 0.539 . . . . 0.0 109.684 177.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.429 ' HB3' ' HB2' ' A' ' 24' ' ' SER . . . -77.26 124.52 27.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.152 176.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -57.82 113.23 1.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.605 -175.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.78 0.22 66.74 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.049 -0.595 . . . . 0.0 112.562 176.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.429 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 33.1 m -113.36 79.61 1.26 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.1 0.476 . . . . 0.0 110.668 -179.009 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -115.35 110.23 19.07 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.89 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.4 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 5.6 p-10 -83.15 80.74 8.96 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.073 0.464 . . . . 0.0 109.998 178.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.465 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 36.1 p-80 -53.34 -46.58 69.56 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.948 -173.067 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.402 ' O ' HG22 ' A' ' 32' ' ' THR . 84.2 tttt -73.37 -48.93 30.13 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.817 -173.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.511 ' HA ' ' CG2' ' A' ' 32' ' ' THR . . . -61.64 -31.0 71.07 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.043 176.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.698 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 80.4 t80 -54.7 -53.38 55.72 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.315 0.384 . . . . 0.0 110.74 177.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.425 ' CD2' ' HA ' ' A' ' 107' ' ' ILE . 56.1 m-85 -67.22 -34.53 77.68 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -176.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.511 ' CG2' ' HA ' ' A' ' 29' ' ' ALA . 4.9 t -81.76 -24.61 35.94 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.69 -178.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.556 ' HG2' ' O ' ' A' ' 30' ' ' PHE . 12.9 ptmt -85.74 -21.67 28.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.41 0.624 . . . . 0.0 109.779 176.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.698 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -90.75 -16.95 8.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.373 -179.755 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.26 8.51 64.38 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.902 -0.666 . . . . 0.0 113.09 176.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.435 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 16.1 tp -87.1 6.99 29.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.213 0.53 . . . . 0.0 110.577 -177.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.35 -14.42 26.9 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 172.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -124.42 31.93 5.62 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.635 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.495 ' HE2' HD12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -83.97 179.54 7.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.754 178.79 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 m -101.03 153.39 37.76 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 171.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -45.55 -46.28 14.9 Favored 'Trans proline' 0 C--O 1.237 0.46 0 C-N-CA 123.211 2.607 . . . . 0.0 114.014 -175.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.94 -32.97 74.69 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.591 ' O ' HG23 ' A' ' 47' ' ' VAL . 24.6 m-20 -63.31 -48.14 79.3 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.123 0.487 . . . . 0.0 109.729 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.495 HD12 ' HE2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -63.64 -27.98 44.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.493 179.441 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 20.8 tptm -64.22 -46.45 83.83 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.939 0.399 . . . . 0.0 110.595 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.69 ' O ' HG13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -72.12 -24.1 61.42 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.401 179.533 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.615 ' HA ' HD12 ' A' ' 50' ' ' ILE . 59.8 t -67.35 -35.97 75.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 173.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.68 ' HA ' HD11 ' A' ' 51' ' ' ILE . 17.5 m-30 -58.21 -38.67 77.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.751 174.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.587 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 4.8 pt-20 -77.29 -14.04 59.82 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.662 178.342 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.69 HG13 ' O ' ' A' ' 46' ' ' LYS . 60.0 mt -71.7 -46.01 63.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 119.132 -0.461 . . . . 0.0 112.23 177.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.68 HD11 ' HA ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -61.51 -20.61 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-O 121.458 0.647 . . . . 0.0 109.662 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.442 ' HB2' HG12 ' A' ' 59' ' ' VAL . 15.7 t0 -104.16 76.8 1.37 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.083 -0.962 . . . . 0.0 108.695 173.066 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.541 ' OE1' ' HB2' ' A' ' 66' ' ' LEU . 18.6 pt20 -56.4 -37.13 69.72 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.35 0.595 . . . . 0.0 110.489 -176.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.748 ' HB3' ' OE2' ' A' ' 63' ' ' GLU . 6.0 t70 -79.03 -19.81 50.53 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.107 176.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt 56.97 63.43 1.93 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 122.41 1.1 . . . . 0.0 110.901 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -92.22 2.66 56.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 113.977 -1.465 . . . . 0.0 110.098 179.391 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.493 ' HB2' ' O ' ' A' ' 56' ' ' SER . 9.1 m-20 75.04 3.64 4.16 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.761 -171.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -148.33 129.78 14.84 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.259 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.679 ' CG2' ' H ' ' A' ' 98' ' ' ILE . 0.9 OUTLIER -88.94 126.91 41.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.72 0.771 . . . . 0.0 110.114 -175.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -93.3 161.64 14.32 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.141 176.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -69.04 -40.31 78.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 118.465 0.575 . . . . 0.0 110.668 -176.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -65.36 -27.09 68.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.042 0.449 . . . . 0.0 110.05 178.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.748 ' OE2' ' HB3' ' A' ' 54' ' ' ASP . 96.5 mt-10 -72.15 -45.02 62.14 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.136 174.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.584 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 0.3 OUTLIER -67.62 -18.95 65.16 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.288 0.566 . . . . 0.0 110.591 -178.791 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.544 ' O ' HD12 ' A' ' 68' ' ' LEU . 10.3 mptt -63.56 -53.63 48.73 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.198 0.523 . . . . 0.0 110.213 173.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.541 ' HB2' ' OE1' ' A' ' 53' ' ' GLN . 36.2 mt -100.82 5.82 43.59 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.838 -174.121 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.606 ' HD2' HG22 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -58.92 -26.37 64.28 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 176.336 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 65' ' ' LYS . 2.7 mt -63.14 -45.0 94.0 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.385 178.028 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.559 ' HA ' ' O ' ' A' ' 72' ' ' SER . 44.0 mt-30 -72.79 -14.69 61.58 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.132 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.451 ' HB3' ' O ' ' A' ' 67' ' ' PHE . 2.3 t-20 -80.32 -25.95 39.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.067 176.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.483 ' HB2' HG21 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -89.59 -47.46 7.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.452 176.578 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.559 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 71.1 m -147.23 128.39 14.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.024 178.335 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.42 -22.56 66.23 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -173.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -97.3 48.8 1.53 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.575 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -122.1 150.88 41.54 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.693 -0.298 . . . . 0.0 111.225 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.45 ' O ' HD13 ' A' ' 68' ' ' LEU . 1.4 mpt_? -96.27 136.41 36.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.223 178.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.493 ' HA ' ' CD1' ' A' ' 68' ' ' LEU . . . -78.79 125.12 28.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.86 0.362 . . . . 0.0 111.211 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.414 HD22 ' H ' ' A' ' 78' ' ' LEU . 1.6 mm? -76.42 150.13 36.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.721 177.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.6 m -144.3 145.79 32.22 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.955 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 72.12 -126.84 0.05 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.632 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.2 -30.72 71.27 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -168.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -71.67 -40.24 69.74 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.092 -177.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.7 m -73.62 -37.23 65.45 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 174.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -55.99 -59.32 5.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.069 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.16 -39.98 85.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.172 -177.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -65.77 -37.97 87.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.486 HD23 HG12 ' A' ' 98' ' ' ILE . 77.3 mt -64.22 -48.0 77.52 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 174.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -65.49 -16.84 64.06 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -176.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.3 -34.66 72.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.37 0.605 . . . . 0.0 109.989 173.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.495 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -106.52 -53.82 0.71 Allowed Glycine 0 N--CA 1.443 -0.896 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.168 176.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.678 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 20.9 t0 -59.92 101.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 122.889 0.476 . . . . 0.0 110.474 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 17.4 t -97.02 -24.02 15.99 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.165 0.507 . . . . 0.0 110.496 -175.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.655 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 9.6 p-10 -86.85 -9.36 55.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.026 -175.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.64 53.03 4.18 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 121.125 -0.56 . . . . 0.0 114.172 171.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.488 ' OD1' ' HG2' ' A' ' 97' ' ' LYS . 3.5 p30 -108.88 -22.31 12.25 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.92 0.36 . . . . 0.0 111.739 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.15 25.66 21.15 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.674 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.678 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 11.1 ptmt -136.86 174.95 10.07 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 177.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.679 ' H ' ' CG2' ' A' ' 59' ' ' VAL . 11.8 mm -109.0 108.38 25.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 C-N-CA 120.085 -0.646 . . . . 0.0 109.949 172.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -59.5 137.29 50.03 Favored Glycine 0 N--CA 1.431 -1.667 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 167.228 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.574 HG13 ' CG ' ' A' ' 48' ' ' PHE . 15.2 t -56.84 -38.92 61.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 CA-C-O 121.381 0.61 . . . . 0.0 110.675 -177.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -73.13 -33.32 65.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.225 175.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.495 ' HB3' ' C ' ' A' ' 90' ' ' GLY . 6.2 mm-40 -59.78 -40.9 89.81 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.081 175.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.606 ' CE2' HD11 ' A' ' 107' ' ' ILE . 22.5 t80 -64.51 -52.33 58.37 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.94 -177.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -53.8 -37.97 58.52 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.169 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.38 -33.87 71.92 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.9 ptp -74.04 -26.08 60.21 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.723 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.606 HD11 ' CE2' ' A' ' 103' ' ' PHE . 78.4 mt -74.56 -43.24 48.54 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.584 0 CA-C-O 122.038 0.923 . . . . 0.0 109.228 -177.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.442 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 0.3 OUTLIER -81.41 -27.28 34.83 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.04 -1.436 . . . . 0.0 109.986 179.642 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.148 -0.93 . . . . 0.0 111.279 179.513 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . 0.655 'CA ' ' OD1' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtm . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.523 0.202 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.9 9.24 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.581 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -110.41 -77.82 0.59 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.783 -0.189 . . . . 0.0 110.706 -176.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 58.59 25.63 13.43 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 70.98 -1.2 25.56 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 121.088 -0.577 . . . . 0.0 113.169 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.2 mm -65.02 -31.28 53.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.689 0.757 . . . . 0.0 109.388 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.446 ' O ' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -144.49 145.29 31.79 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.14 175.766 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.409 ' HB2' ' HB2' ' A' ' 11' ' ' ASP . 76.7 m-20 -93.36 110.18 21.73 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -52.37 -37.09 55.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.035 -176.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.13 96.57 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.631 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.409 ' HB2' ' HB2' ' A' ' 8' ' ' ASN . 1.4 t0 -69.88 -45.37 67.79 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.35 0.595 . . . . 0.0 109.894 -177.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.453 HG12 ' CD1' ' A' ' 71' ' ' PHE . 1.8 mp -55.35 -52.96 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.228 174.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.3 m -57.91 -32.48 67.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.517 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.48 -53.05 61.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.824 0.345 . . . . 0.0 110.74 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.512 ' HB2' ' CD ' ' A' ' 33' ' ' LYS . . . -58.59 -38.55 78.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.215 175.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 16' ' ' LEU . 3.4 mm? -59.25 -41.44 88.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.862 0.363 . . . . 0.0 110.93 176.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.2 -23.0 65.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.871 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.5 -29.76 30.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.346 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.7 p -110.92 30.37 6.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.16 0.505 . . . . 0.0 111.506 -178.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -82.96 18.07 1.74 Allowed 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 120.979 0.419 . . . . 0.0 111.073 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.83 130.89 20.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.347 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.35 131.72 46.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.989 0.423 . . . . 0.0 109.955 178.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.79 -24.07 33.62 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -170.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.2 t -109.83 38.55 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 176.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.59 ' HB2' ' OE2' ' A' ' 82' ' ' GLU . 22.7 p90 -96.53 122.22 39.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.858 -177.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.38 83.54 1.97 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.586 0.708 . . . . 0.0 110.529 177.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.56 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 6.1 p-80 -68.93 -31.98 71.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.532 -178.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.468 ' O ' HG22 ' A' ' 32' ' ' THR . 65.1 tttp -66.84 -41.61 87.12 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.018 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.472 ' HA ' ' CG2' ' A' ' 32' ' ' THR . . . -59.65 -32.52 70.53 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.374 175.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.654 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 83.5 t80 -57.24 -52.5 65.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.064 177.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -68.06 -37.98 81.91 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.504 -177.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.472 ' CG2' ' HA ' ' A' ' 29' ' ' ALA . 8.2 t -79.62 -26.14 41.24 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -174.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -77.34 -28.64 53.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.465 0.65 . . . . 0.0 109.332 176.145 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.654 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -94.01 -21.99 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.807 -169.911 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.55 22.35 34.43 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.298 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.494 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 10.0 tp -84.31 -20.27 32.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.686 0.279 . . . . 0.0 111.328 -176.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.459 ' HA ' HG22 ' A' ' 107' ' ' ILE . . . -79.91 -13.6 59.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.903 0.383 . . . . 0.0 111.121 -176.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -113.97 38.01 3.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.312 0.577 . . . . 0.0 110.038 176.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.468 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 48.9 mmtt -94.89 158.52 15.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.527 0.679 . . . . 0.0 112.436 -176.607 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.9 m -89.27 163.51 33.71 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.178 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -48.4 -50.54 11.99 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.221 2.614 . . . . 0.0 113.897 -175.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.09 -34.77 78.31 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.897 0.38 . . . . 0.0 111.68 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.572 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 1.3 m-20 -67.95 -50.65 54.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.348 0.594 . . . . 0.0 109.411 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 44' ' ' ILE . 16.4 mm -66.79 -28.47 43.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.98 179.295 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 21.3 tptm -59.86 -48.33 82.14 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.342 0.591 . . . . 0.0 110.797 177.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.706 ' O ' HG13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -73.87 -20.71 60.34 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.004 179.213 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.573 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 73.6 t -68.31 -39.4 80.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.004 0.43 . . . . 0.0 109.842 172.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.592 ' CG ' HG13 ' A' ' 100' ' ' VAL . 19.8 m-30 -52.99 -41.35 64.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.54 173.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.684 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 7.2 pt-20 -79.95 -14.94 58.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.27 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.706 HG13 ' O ' ' A' ' 46' ' ' LYS . 66.0 mt -67.06 -49.32 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.679 176.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.778 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -62.3 -36.9 76.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 177.77 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.652 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 38.3 t0 -83.85 64.64 8.19 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.301 176.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.552 HE21 ' HA ' ' A' ' 63' ' ' GLU . 15.8 pt20 -57.58 -30.46 65.29 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.407 0.622 . . . . 0.0 110.854 -173.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -80.85 -19.62 44.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.811 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.8 tptp 59.8 63.77 1.42 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 122.899 0.48 . . . . 0.0 111.377 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.39 13.4 3.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.13 -177.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.3 t70 74.28 -2.96 2.66 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.669 0.788 . . . . 0.0 111.435 178.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -118.93 138.68 52.61 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 173.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.778 HG11 ' HB ' ' A' ' 51' ' ' ILE . 43.3 t -129.1 88.42 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -174.401 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.531 ' HG2' ' H ' ' A' ' 61' ' ' GLU . 21.9 tt0 -87.32 172.89 9.52 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 122.461 -0.149 . . . . 0.0 110.9 -176.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.531 ' H ' ' HG2' ' A' ' 60' ' ' GLU . 40.2 tt0 -57.49 -43.62 84.26 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -175.176 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -55.9 -30.62 61.87 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.907 0.384 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.552 ' HA ' HE21 ' A' ' 53' ' ' GLN . 36.1 mt-10 -69.78 -39.91 76.35 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.759 177.017 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.553 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 3.5 mp -69.82 -18.91 63.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.89 0.376 . . . . 0.0 111.729 178.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.622 ' O ' HD12 ' A' ' 68' ' ' LEU . 1.5 mptm? -65.41 -49.15 70.31 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.075 0.465 . . . . 0.0 110.19 174.216 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.3 mt -104.09 3.34 33.05 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -177.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.627 ' HD2' HG22 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -65.91 -26.02 67.42 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 175.919 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.622 HD12 ' O ' ' A' ' 65' ' ' LYS . 1.6 mt -67.73 -38.82 84.08 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 114.07 -1.423 . . . . 0.0 109.911 176.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' ' 72' ' ' SER . 19.5 mm-40 -69.2 -17.33 63.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.121 177.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -80.42 -41.52 24.37 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 173.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.453 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -62.04 -48.62 79.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.335 176.752 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 47.9 t -146.87 137.3 23.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.51 177.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.4 -1.95 29.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.739 -177.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -118.75 28.88 6.53 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.952 177.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.41 158.98 16.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.028 0.442 . . . . 0.0 111.172 -177.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.407 ' O ' HD13 ' A' ' 68' ' ' LEU . 34.2 mmt180 -102.73 142.96 33.01 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.012 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.28 118.15 17.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.087 0.47 . . . . 0.0 110.937 -178.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.96 152.28 44.9 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.733 176.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.5 m -145.46 164.39 31.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.011 0.434 . . . . 0.0 111.843 -173.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 56.55 -131.55 1.63 Allowed 'General case' 0 C--O 1.237 0.412 0 CA-C-N 114.969 -1.014 . . . . 0.0 112.417 172.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.14 -26.69 68.46 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.388 -170.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.59 ' OE2' ' HB2' ' A' ' 25' ' ' PHE . 4.9 tp10 -63.41 -65.46 0.68 Allowed 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.589 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -60.68 -31.61 70.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.59 0.233 . . . . 0.0 110.971 -176.594 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -51.71 37.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.808 0.337 . . . . 0.0 110.968 -177.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 99.6 t -71.28 -36.38 61.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.201 0.524 . . . . 0.0 110.064 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -62.7 -35.56 80.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.469 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.615 HD23 HG12 ' A' ' 98' ' ' ILE . 53.1 mt -61.02 -47.96 83.99 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.737 0.303 . . . . 0.0 110.307 172.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.413 ' HA ' ' HB3' ' A' ' 91' ' ' ASP . 32.1 mmtp -69.57 -19.28 63.68 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -176.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.64 -26.0 66.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.142 0.496 . . . . 0.0 110.12 173.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.575 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -120.23 8.84 11.22 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.956 178.145 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.413 ' HB3' ' HA ' ' A' ' 88' ' ' LYS . 41.2 t0 -107.67 99.04 8.56 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 167.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.425 ' H ' ' CD ' ' A' ' 102' ' ' GLU . 24.2 m -93.46 -21.52 19.44 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.235 0.54 . . . . 0.0 110.714 -174.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.59 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 12.9 p-10 -95.25 -17.55 21.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.38 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.11 52.1 4.74 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.851 175.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -106.16 -2.69 22.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.554 0.216 . . . . 0.0 111.191 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.34 30.15 10.34 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 120.775 -0.726 . . . . 0.0 113.357 173.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 11.5 pttm -156.93 170.75 21.79 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -174.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.615 HG12 HD23 ' A' ' 87' ' ' LEU . 20.0 mm -89.16 124.27 41.82 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 169.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.418 ' HA3' ' HG3' ' A' ' 102' ' ' GLU . . . -85.73 136.09 13.99 Favored Glycine 0 N--CA 1.433 -1.558 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 172.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.592 HG13 ' CG ' ' A' ' 48' ' ' PHE . 2.9 t -56.48 -49.87 75.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-O 120.859 0.362 . . . . 0.0 110.682 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -66.65 -29.89 70.03 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.135 0.493 . . . . 0.0 110.828 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.575 ' HB2' ' O ' ' A' ' 90' ' ' GLY . 13.0 mt-10 -77.27 -33.14 55.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.77 -176.144 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.575 ' O ' ' HB3' ' A' ' 106' ' ' MET . 47.0 t80 -72.78 -35.04 67.34 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 122.846 0.458 . . . . 0.0 110.42 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.35 -47.52 90.39 Favored Glycine 0 C--O 1.237 0.324 0 C-N-CA 120.169 -1.015 . . . . 0.0 110.92 174.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.89 -23.91 66.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.255 -0.473 . . . . 0.0 110.253 175.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.575 ' HB3' ' O ' ' A' ' 103' ' ' PHE . 10.9 ttm -66.26 -48.9 68.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.296 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.485 HD11 ' CE2' ' A' ' 103' ' ' PHE . 45.5 mt -69.99 -34.39 59.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.968 0.89 . . . . 0.0 109.263 -174.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.437 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 4.9 tmmm? -77.96 -25.26 48.09 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.271 -1.331 . . . . 0.0 110.93 -178.123 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.441 -0.79 . . . . 0.0 111.369 -178.017 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . 0.652 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . 0.59 'CA ' ' OD1' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.9 mtm . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 121.077 0.465 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.53 137.48 53.79 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.819 176.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.489 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 30.0 t80 -109.62 -173.64 2.31 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -178.155 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.06 158.87 2.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.86 0.362 . . . . 0.0 110.801 174.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.15 25.72 1.25 Allowed Glycine 0 N--CA 1.453 -0.183 0 CA-C-N 115.992 -0.549 . . . . 0.0 113.18 -175.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.0 mt -68.31 -38.23 79.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.823 0.82 . . . . 0.0 108.835 172.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.506 ' H ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -136.79 147.72 46.79 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.3 178.454 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -101.09 114.35 28.21 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.714 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.65 -29.42 64.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.754 -176.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.76 -41.48 95.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.187 176.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.78 -40.15 79.81 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.012 0.434 . . . . 0.0 110.495 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.508 HG12 ' CE2' ' A' ' 71' ' ' PHE . 1.8 mp -59.41 -47.09 91.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.908 174.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.4 m -62.28 -36.27 81.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.892 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.83 -52.99 62.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.988 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.87 82.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.592 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.418 HD13 ' CB ' ' A' ' 75' ' ' ALA . 39.4 mt -70.46 -42.57 71.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.525 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.67 -17.14 61.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.108 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.76 -33.83 71.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.037 0.446 . . . . 0.0 110.439 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 24' ' ' SER . 35.3 m -127.08 41.96 3.42 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.826 -174.18 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -81.37 53.73 2.14 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.073 0.463 . . . . 0.0 111.712 -176.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.15 139.66 17.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.494 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.53 122.51 14.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.401 178.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.579 ' H ' ' CD ' ' A' ' 82' ' ' GLU . . . 99.49 -5.56 58.75 Favored Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.544 -177.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.455 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 21.6 t -118.28 -16.59 9.65 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -175.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -56.94 121.45 9.95 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.95 0.405 . . . . 0.0 111.834 -176.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.463 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 13.9 m-20 -105.8 93.89 4.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.88 178.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -61.05 -36.27 79.13 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.816 0.817 . . . . 0.0 110.796 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.503 ' HG3' ' CE2' ' A' ' 31' ' ' PHE . 87.0 tttt -76.21 -49.53 16.91 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 114.617 -1.174 . . . . 0.0 110.027 -175.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.463 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . . . -56.06 -34.79 66.26 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.219 176.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.666 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 91.9 t80 -57.34 -59.55 4.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.071 177.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.503 ' CE2' ' HG3' ' A' ' 28' ' ' LYS . 1.2 p90 -60.28 -37.52 80.73 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.309 0.576 . . . . 0.0 111.38 -174.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.471 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 11.2 t -87.22 -29.12 21.95 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.588 -169.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -81.17 -30.21 34.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.797 0.808 . . . . 0.0 109.547 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.666 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -78.19 -35.57 20.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 114.185 -1.37 . . . . 0.0 111.261 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.71 16.07 27.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.647 -177.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.458 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 11.5 tp -74.26 -15.14 60.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.13 0.49 . . . . 0.0 110.367 -175.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.541 ' HA ' HG22 ' A' ' 107' ' ' ILE . . . -76.31 -5.39 46.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.543 -178.452 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -118.62 29.31 7.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.728 ' HD3' ' OD2' ' A' ' 43' ' ' ASP . 11.3 mmpt? -84.06 135.59 34.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.917 0.389 . . . . 0.0 110.156 178.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.2 m -70.31 156.5 91.77 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.119 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -45.42 -53.94 4.94 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.109 2.54 . . . . 0.0 113.769 -177.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 45' ' ' LYS . . . -69.08 -26.56 64.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.296 0.57 . . . . 0.0 111.229 -178.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.728 ' OD2' ' HD3' ' A' ' 39' ' ' LYS . 25.1 t0 -74.91 -37.04 62.18 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.299 0.571 . . . . 0.0 109.534 178.067 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.437 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 4.1 mm -66.7 -24.18 32.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.892 170.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.61 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 4.1 tppp? -69.63 -36.05 75.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.671 177.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.607 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -74.93 -22.33 58.66 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 119.447 -0.901 . . . . 0.0 109.403 173.679 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.57 ' HA ' HD12 ' A' ' 50' ' ' ILE . 95.5 t -68.81 -33.82 61.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 171.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.61 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -51.55 -49.31 62.28 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.895 168.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -61.85 -21.17 64.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.65 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 47' ' ' VAL . 64.9 mt -73.16 -54.4 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.209 175.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.816 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -67.65 -30.57 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 118.804 0.729 . . . . 0.0 109.345 177.858 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.648 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 26.5 t0 -84.15 74.32 10.3 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.427 176.243 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.406 ' OE1' ' HB2' ' A' ' 66' ' ' LEU . 64.6 tt0 -56.18 -36.87 68.84 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.448 0.642 . . . . 0.0 110.761 -176.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -82.47 -19.19 39.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.845 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.489 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 52.6 tptt 59.12 67.69 0.89 Allowed 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 121.929 0.871 . . . . 0.0 112.139 172.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.1 p -142.05 23.53 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.904 176.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.1 t70 78.54 -1.46 2.44 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.907 0.883 . . . . 0.0 111.509 174.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -121.98 121.01 36.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.864 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.816 HG11 ' HB ' ' A' ' 51' ' ' ILE . 77.9 t -107.56 96.35 4.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.779 0.323 . . . . 0.0 111.202 -176.178 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.434 ' O ' HD12 ' A' ' 64' ' ' LEU . 45.0 mt-10 -93.14 176.13 6.52 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -70.82 -39.38 73.08 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -175.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -58.49 -31.61 68.02 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 67' ' ' PHE . 44.4 mt-10 -69.2 -55.21 11.26 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.243 173.071 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.508 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 0.5 OUTLIER -60.17 -18.53 48.63 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -176.709 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.495 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -68.44 -49.38 60.36 Favored 'General case' 0 N--CA 1.435 -1.224 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.286 174.402 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.406 ' HB2' ' OE1' ' A' ' 53' ' ' GLN . 30.9 mt -103.59 -1.02 28.9 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -175.196 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.523 ' CD2' HG22 ' A' ' 50' ' ' ILE . 1.5 p90 -59.86 -29.36 68.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.776 0.798 . . . . 0.0 109.058 -176.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -67.59 -45.34 75.8 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.283 -179.704 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -74.18 -8.09 54.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.018 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -91.58 -32.55 15.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.312 173.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.508 ' CE2' HG12 ' A' ' 12' ' ' ILE . 5.9 t80 -72.82 -51.12 20.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.558 178.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.8 m -141.27 151.19 43.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.108 0.48 . . . . 0.0 110.771 -178.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.65 -20.98 49.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.774 -175.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -98.16 25.12 28.98 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.03 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.418 ' CB ' HD13 ' A' ' 16' ' ' LEU . . . -95.56 150.2 20.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.974 0.416 . . . . 0.0 111.393 -178.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -107.46 138.83 42.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.777 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -78.89 125.88 29.96 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 176.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.3 mp -77.3 150.78 35.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.786 -178.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.459 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 25.2 m -143.08 158.93 43.15 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.986 176.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.453 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 9.8 m-20 63.06 -140.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.501 0.501 . . . . 0.0 111.246 176.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.29 -20.22 65.28 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -171.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.579 ' CD ' ' H ' ' A' ' 23' ' ' GLY . 6.0 mm-40 -60.94 -53.47 56.83 Favored 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -177.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.587 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 1.4 m -64.71 -36.48 84.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.418 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 80' ' ' ASP . 11.6 mmpt? -58.44 -58.94 6.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.929 0.395 . . . . 0.0 110.439 -179.037 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.7 -36.2 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.74 -178.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -58.89 -42.28 89.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.21 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 83' ' ' THR . 96.9 mt -70.06 -50.36 41.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.311 176.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -58.65 -22.52 56.95 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.73 -31.46 66.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.068 0.461 . . . . 0.0 110.68 176.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.439 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -118.22 -50.38 0.34 Allowed Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.883 178.031 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.594 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 24.1 t0 -60.29 103.97 0.28 Allowed 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.4 m -95.87 -14.09 23.45 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.131 0.491 . . . . 0.0 110.029 -173.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.625 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 0.1 OUTLIER -78.08 -24.55 47.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.735 177.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 73.76 25.24 72.48 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.843 -174.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.454 ' OD2' ' HB3' ' A' ' 97' ' ' LYS . 1.5 p-10 -87.13 -9.02 56.36 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.513 -0.344 . . . . 0.0 110.794 -172.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.82 29.34 18.6 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.335 -0.936 . . . . 0.0 112.517 174.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.454 ' HB3' ' OD2' ' A' ' 95' ' ' ASP . 0.0 OUTLIER -142.84 156.83 45.01 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -177.251 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.558 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 14.4 mm -102.4 101.08 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.574 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.046 172.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.91 139.47 42.87 Favored Glycine 0 N--CA 1.432 -1.575 0 N-CA-C 107.716 -2.154 . . . . 0.0 107.716 162.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.421 ' CG2' ' HB2' ' A' ' 48' ' ' PHE . 97.4 t -62.44 -39.56 84.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 CA-C-N 117.755 0.778 . . . . 0.0 110.691 -174.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -63.07 -35.07 79.04 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.087 172.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.477 ' CD ' ' HA ' ' A' ' 91' ' ' ASP . 14.2 mt-10 -66.09 -41.07 91.14 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.94 176.442 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.558 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . 14.6 t80 -64.55 -46.55 82.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.378 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.48 -35.92 74.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.799 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.63 -22.57 63.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.533 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 8.1 ptp -87.63 -25.02 23.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.166 0.508 . . . . 0.0 109.862 177.148 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.541 HG22 ' HA ' ' A' ' 37' ' ' ALA . 85.1 mt -79.57 -42.21 22.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.863 0.84 . . . . 0.0 109.409 -178.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.463 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 0.9 OUTLIER -83.61 -30.17 27.15 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.568 -1.196 . . . . 0.0 109.764 179.568 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.136 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.981 -176.766 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . 0.648 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . 0.625 'CA ' ' OD2' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.4 ttp . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 121.012 0.434 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.16 44.64 0.96 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.475 -177.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -120.42 178.17 4.76 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.765 177.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.26 -30.84 69.05 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.939 0.4 . . . . 0.0 111.199 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.21 4.81 28.95 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.483 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.0 mt -58.46 -40.56 78.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.51 0.672 . . . . 0.0 109.385 174.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.513 ' H ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -111.67 150.64 29.87 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.66 175.458 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -101.12 108.32 19.97 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -49.09 -38.27 24.1 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.423 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.27 -46.94 81.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.421 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.2 -37.95 78.37 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.938 0.399 . . . . 0.0 110.989 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.24 -47.21 94.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.752 174.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.6 m -58.95 -36.99 75.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.143 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.27 -47.53 83.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.199 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.36 -41.31 98.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.089 0.471 . . . . 0.0 110.302 177.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.4 HD13 ' HB1' ' A' ' 75' ' ' ALA . 92.2 mt -67.52 -19.59 65.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.158 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.71 -31.07 36.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.026 0.441 . . . . 0.0 110.51 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.43 -43.66 26.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.317 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.475 ' HB3' ' OE1' ' A' ' 82' ' ' GLU . 36.6 m -89.45 17.51 6.18 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.139 -177.274 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -74.38 -42.42 59.31 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.23 118.2 17.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.745 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -60.28 122.41 14.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.93 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.12 -26.28 14.13 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -175.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.8 m -96.97 48.86 1.06 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.351 0.596 . . . . 0.0 109.986 178.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.436 ' CE1' HG11 ' A' ' 85' ' ' VAL . 3.8 p90 -90.66 131.57 36.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.907 -174.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -138.9 91.85 2.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.882 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -61.43 -31.59 71.54 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.637 0.732 . . . . 0.0 109.899 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.605 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 88.7 tttt -68.22 -47.12 68.7 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.236 -177.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.22 -38.63 71.32 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.384 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -61.42 -54.35 44.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.081 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.605 ' CD2' ' HA ' ' A' ' 28' ' ' LYS . 1.8 p90 -65.91 -42.46 90.13 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.935 0.398 . . . . 0.0 111.471 -173.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.589 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 5.8 t -87.1 -21.73 25.83 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -168.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -74.7 -48.59 25.1 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.032 0.444 . . . . 0.0 110.469 177.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 m -78.48 -5.06 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.85 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.824 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.47 ' O ' ' HG2' ' A' ' 39' ' ' LYS . . . 71.16 34.57 64.46 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.45 -0.796 . . . . 0.0 112.318 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.499 HD12 ' HG3' ' A' ' 39' ' ' LYS . 22.0 tp -77.1 -29.41 54.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.784 0.326 . . . . 0.0 110.738 -177.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.536 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . . . -69.82 -21.51 63.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.021 0.438 . . . . 0.0 110.357 179.088 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.67 23.91 9.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.593 177.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.499 ' HG3' HD12 ' A' ' 36' ' ' LEU . 43.7 mmtm -97.16 150.26 21.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.101 0.477 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.412 ' OG ' ' HD2' ' A' ' 41' ' ' PRO . 8.5 t -80.44 151.3 71.82 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.426 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.412 ' HD2' ' OG ' ' A' ' 40' ' ' SER . 43.4 Cg_exo -38.91 -50.36 2.59 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.565 2.844 . . . . 0.0 114.296 -178.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.5 -40.22 78.19 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.592 ' O ' HG23 ' A' ' 47' ' ' VAL . 25.1 m-20 -65.97 -49.49 67.7 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.29 0.566 . . . . 0.0 109.565 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.9 mt -67.52 -26.98 36.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.219 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 25.2 mmtp -61.61 -45.76 92.71 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.793 0.33 . . . . 0.0 111.232 176.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.55 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -72.69 -24.74 61.05 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.019 179.32 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 43' ' ' ASP . 60.9 t -67.84 -33.68 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 173.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.82 ' HA ' HD11 ' A' ' 51' ' ' ILE . 20.6 m-30 -57.05 -40.02 75.99 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.342 0.592 . . . . 0.0 110.12 172.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.58 -24.08 66.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.993 177.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.532 ' CD1' ' HA ' ' A' ' 47' ' ' VAL . 45.7 mt -70.9 -45.13 74.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.82 HD11 ' HA ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -64.56 -24.8 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 176.85 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.613 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 20.2 t0 -87.07 62.87 7.6 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.236 173.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.96 -47.33 52.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.8 0.81 . . . . 0.0 109.915 -178.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.403 ' HB3' ' OE1' ' A' ' 63' ' ' GLU . 11.1 t70 -78.29 -15.03 59.16 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.606 -177.648 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.419 ' HD2' ' HA ' ' A' ' 55' ' ' LYS . 12.9 mmmm 59.29 64.63 1.32 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.98 0.895 . . . . 0.0 111.033 -178.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.416 ' C ' ' H ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -110.88 3.76 19.17 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.57 -1.196 . . . . 0.0 110.692 -173.713 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 56' ' ' SER . 31.9 m-20 72.47 -2.41 2.63 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.805 0.842 . . . . 0.0 109.826 -171.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.416 ' H ' ' C ' ' A' ' 56' ' ' SER . 95.8 m-85 -144.96 140.36 28.16 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.656 -1.156 . . . . 0.0 108.107 175.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.808 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 0.8 OUTLIER -99.26 126.67 52.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -179.726 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -91.89 172.72 8.27 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.595 175.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.88 -44.21 93.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.676 0.274 . . . . 0.0 110.485 177.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -65.83 -27.63 68.39 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.288 0.566 . . . . 0.0 110.006 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 67' ' ' PHE . 32.5 mt-10 -66.24 -37.53 85.73 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.273 174.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.579 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -70.65 -26.62 63.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.048 0.452 . . . . 0.0 110.829 178.567 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.657 ' O ' HD12 ' A' ' 68' ' ' LEU . 1.4 mptm? -63.01 -43.89 97.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.421 0.629 . . . . 0.0 110.422 176.189 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.8 mt -103.31 -0.42 30.26 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.191 -175.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.579 ' HD1' ' O ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -65.94 -25.38 67.1 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.511 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -67.27 -43.08 82.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.289 178.705 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -72.16 -15.0 61.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.571 177.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.418 ' ND2' ' HA ' ' A' ' 50' ' ' ILE . 51.5 t30 -87.44 -26.84 23.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.345 176.234 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -77.85 -46.17 22.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.57 -177.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.1 p -127.87 -169.3 2.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.297 -175.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.49 -44.0 25.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.731 0.3 . . . . 0.0 111.515 -177.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -146.62 98.81 0.2 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.95 -177.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.4 ' HB1' HD13 ' A' ' 16' ' ' LEU . . . -122.27 133.62 54.69 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.929 0.395 . . . . 0.0 111.522 -176.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.515 ' HD3' ' N ' ' A' ' 76' ' ' ARG . 0.6 OUTLIER -64.09 135.05 56.04 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.599 174.881 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.42 117.93 16.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.152 0.501 . . . . 0.0 110.639 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.527 ' HG ' ' HG2' ' A' ' 82' ' ' GLU . 6.6 mp -64.93 139.86 58.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.317 177.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.409 ' O ' ' HB3' ' A' ' 82' ' ' GLU . 48.2 t -146.74 170.46 16.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.578 -175.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 67.76 -149.5 0.16 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.714 175.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.706 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -58.09 -24.13 57.41 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -175.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.527 ' HG2' ' HG ' ' A' ' 78' ' ' LEU . 6.4 tp10 -55.91 -60.98 2.7 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 123.334 0.396 . . . . 0.0 110.637 -179.11 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.405 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -58.19 -33.14 68.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.623 0.249 . . . . 0.0 110.702 -177.691 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -62.7 -61.89 2.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.179 0.514 . . . . 0.0 111.409 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.706 HG12 ' O ' ' A' ' 81' ' ' ALA . 2.3 p -68.39 -35.59 71.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.73 -178.234 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -62.78 -42.62 99.78 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.229 178.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.499 HD23 HG12 ' A' ' 98' ' ' ILE . 61.4 mt -62.1 -44.74 96.0 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.993 0.425 . . . . 0.0 110.271 173.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -64.27 -16.97 63.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.738 -174.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.22 -37.58 69.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.195 0.521 . . . . 0.0 109.716 172.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.455 ' O ' ' HB3' ' A' ' 102' ' ' GLU . . . -104.87 -47.38 1.18 Allowed Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.557 178.334 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.559 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 10.4 t0 -59.33 101.35 0.1 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.332 0.586 . . . . 0.0 110.577 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.4 m -98.81 -7.74 26.97 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.762 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.631 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 6.4 m-20 -87.85 -24.29 23.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.797 -176.09 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.39 33.08 29.38 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 110.002 -1.239 . . . . 0.0 110.002 -169.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.662 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 6.7 p30 -91.39 -19.08 23.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.27 -0.465 . . . . 0.0 111.754 -175.089 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.02 28.27 54.53 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.129 178.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.808 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 10.1 ptmt -146.42 175.18 10.74 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -177.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.76 ' HB ' HG21 ' A' ' 59' ' ' VAL . 26.7 mm -109.0 105.25 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.098 0 C-N-CA 119.753 -0.779 . . . . 0.0 110.04 175.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.4 136.7 49.26 Favored Glycine 0 N--CA 1.43 -1.724 0 N-CA-C 108.188 -1.965 . . . . 0.0 108.188 166.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.667 HG13 ' CG ' ' A' ' 48' ' ' PHE . 5.6 t -57.73 -42.63 82.2 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 CA-C-O 121.514 0.673 . . . . 0.0 110.77 -176.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -67.72 -33.45 74.9 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.082 175.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.455 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 28.1 mt-10 -67.07 -34.01 76.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.64 178.105 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.722 ' O ' ' HG2' ' A' ' 106' ' ' MET . 51.8 t80 -62.27 -44.81 95.69 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.301 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -53.57 -43.81 67.8 Favored Glycine 0 CA--C 1.52 0.394 0 C-N-CA 120.122 -1.037 . . . . 0.0 111.507 175.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.35 97.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.502 -0.349 . . . . 0.0 111.84 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.722 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 17.8 ptm -72.73 -21.45 61.03 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 111.51 0.189 . . . . 0.0 111.51 -176.332 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.619 HG13 ' O ' ' A' ' 103' ' ' PHE . 69.9 mt -73.45 -37.01 49.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 122.136 0.97 . . . . 0.0 108.591 177.529 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.431 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 4.0 tmmm? -86.5 -21.31 27.05 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 113.998 -1.455 . . . . 0.0 111.24 -178.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.772 -0.632 . . . . 0.0 111.776 -176.099 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . 0.613 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . 0.662 'CA ' ' OD2' ' A' ' 95' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 120.813 0.34 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.6 78.72 9.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.978 0.418 . . . . 0.0 110.321 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -136.28 33.2 2.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.186 0.517 . . . . 0.0 110.696 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 66.16 6.64 4.3 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.103 -0.953 . . . . 0.0 112.557 174.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 66.69 8.45 47.22 Favored Glycine 0 CA--C 1.519 0.293 0 CA-C-N 116.418 -0.355 . . . . 0.0 113.403 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.3 mt -70.21 -36.23 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.728 . . . . 0.0 109.386 176.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.577 ' H ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -130.73 146.4 52.19 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.476 176.628 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -89.86 106.69 18.64 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.42 -30.83 65.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -175.152 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.8 -35.82 80.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.076 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.41 -41.25 63.52 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.114 0.483 . . . . 0.0 110.361 178.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.54 -48.41 87.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.845 173.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.1 m -62.44 -32.93 73.86 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.953 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.14 -49.67 68.98 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.872 0.368 . . . . 0.0 110.767 178.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.69 -43.92 90.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.783 176.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.9 -26.61 64.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.546 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.9 -28.29 66.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.056 0.455 . . . . 0.0 110.346 176.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.18 -41.91 14.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.267 0.556 . . . . 0.0 110.01 173.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 49.7 t -87.84 34.35 0.72 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.216 -176.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -102.06 -9.87 20.19 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.184 0.516 . . . . 0.0 109.833 173.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.3 114.55 11.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.994 -177.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.41 ' HA ' ' CZ ' ' A' ' 25' ' ' PHE . 41.1 mt-10 -62.06 126.47 27.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.2 178.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.61 2.75 84.49 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.363 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.9 m -148.85 71.62 1.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.245 0.545 . . . . 0.0 110.804 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.431 ' HB3' ' SG ' ' A' ' 19' ' ' CYS . 78.3 m-85 -108.47 148.76 29.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.997 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.764 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 8.0 m-20 -124.6 84.64 2.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.476 0.655 . . . . 0.0 110.269 176.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.511 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 7.3 t60 -68.12 -46.23 71.45 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.301 -175.453 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.506 ' HE3' ' O ' ' A' ' 109' ' ' ALA . 85.6 tttt -66.39 -46.48 76.51 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.072 178.556 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.764 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . . . -58.4 -32.03 68.24 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.406 178.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.511 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 91.3 t80 -56.26 -55.63 30.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.501 175.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -61.19 -43.0 99.57 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -177.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.446 ' CG2' ' HA ' ' A' ' 29' ' ' ALA . 3.9 t -75.84 -21.73 56.96 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.684 -177.132 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -81.94 -45.5 15.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.711 0.291 . . . . 0.0 110.963 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 30' ' ' PHE . 13.9 m -80.49 -10.79 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-O 121.027 0.441 . . . . 0.0 111.47 -179.098 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.9 25.97 56.89 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.58 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.0 tp -76.34 -14.46 60.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.219 0.533 . . . . 0.0 110.099 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.435 ' HA ' HG22 ' A' ' 107' ' ' ILE . . . -73.59 -12.47 60.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.213 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -103.04 26.8 7.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.987 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -94.81 139.79 30.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.278 0.561 . . . . 0.0 111.107 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.417 ' OG ' ' HD2' ' A' ' 41' ' ' PRO . 8.8 t -82.56 153.05 67.85 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.767 176.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.417 ' HD2' ' OG ' ' A' ' 40' ' ' SER . 68.3 Cg_exo -41.2 -36.55 2.5 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.109 2.539 . . . . 0.0 114.07 -177.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.39 -46.41 88.75 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.638 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 29.0 t70 -79.28 -26.91 42.25 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-O 121.222 0.534 . . . . 0.0 110.126 -177.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.473 HD13 ' HA ' ' A' ' 44' ' ' ILE . 9.1 mm -72.42 -21.81 20.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-O 121.42 0.629 . . . . 0.0 109.713 172.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.713 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 21.7 tptm -71.55 -39.37 70.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.573 175.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.638 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -69.9 -28.01 65.27 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.262 173.41 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 43' ' ' ASP . 69.7 t -63.79 -37.7 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.754 172.557 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.713 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -47.22 -50.56 20.75 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.02 0.438 . . . . 0.0 110.555 169.385 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -65.44 -17.75 64.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.824 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.647 ' HA ' ' ND2' ' A' ' 70' ' ' ASN . 28.3 mt -81.84 -46.31 19.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-O 119.375 -0.345 . . . . 0.0 111.759 176.205 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.775 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -67.18 -29.59 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 176.081 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -83.59 61.55 6.32 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 171.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.488 ' OE1' ' HB2' ' A' ' 70' ' ' ASN . 15.6 tp60 -45.35 -46.35 12.96 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.414 0.626 . . . . 0.0 111.524 -178.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.794 ' HB3' ' OE2' ' A' ' 63' ' ' GLU . 0.7 OUTLIER -79.65 -16.66 55.37 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.112 -0.949 . . . . 0.0 112.142 -177.575 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.7 mmmp? 63.65 65.5 0.73 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.479 0.656 . . . . 0.0 111.036 178.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.97 9.46 26.5 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.058 -176.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 63.52 14.4 8.0 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.702 0.763 . . . . 0.0 109.548 -171.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -151.54 132.28 14.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.17 -1.377 . . . . 0.0 107.581 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.775 HG11 ' HB ' ' A' ' 51' ' ' ILE . 72.2 t -97.46 111.9 28.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-O 121.074 0.464 . . . . 0.0 111.664 -175.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -92.98 179.41 5.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.598 -175.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -78.43 -45.37 22.43 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.966 0.412 . . . . 0.0 111.08 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 19.8 t70 -64.53 -19.15 65.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.563 0.697 . . . . 0.0 109.908 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.794 ' OE2' ' HB3' ' A' ' 54' ' ' ASP . 83.7 mt-10 -75.85 -36.19 59.69 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.674 174.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.412 ' HG ' ' CD1' ' A' ' 87' ' ' LEU . 3.2 mm? -66.13 -21.69 66.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.077 0.465 . . . . 0.0 110.232 175.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.503 ' O ' HD23 ' A' ' 68' ' ' LEU . 9.2 mptt -63.59 -52.76 59.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.269 175.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.406 HD22 ' HB3' ' A' ' 65' ' ' LYS . 1.3 mm? -100.93 4.69 42.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.956 0.408 . . . . 0.0 111.557 -177.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.541 ' CD1' HG22 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -50.96 -31.2 17.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.797 0.808 . . . . 0.0 109.636 174.014 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.57 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.7 mm? -63.91 -55.82 19.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.871 -1.059 . . . . 0.0 111.395 -177.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -74.15 -4.49 36.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.266 0.555 . . . . 0.0 110.221 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.647 ' ND2' ' HA ' ' A' ' 50' ' ' ILE . 64.1 t30 -89.09 -25.88 21.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.151 174.378 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -84.5 -39.83 18.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.953 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.7 p -143.36 162.22 36.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.14 -174.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.29 -9.26 55.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.766 -174.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -134.8 66.23 0.57 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.787 -0.721 . . . . 0.0 111.874 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.57 ' HB1' ' HB3' ' A' ' 68' ' ' LEU . . . -121.91 166.07 14.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.014 0.435 . . . . 0.0 111.833 -175.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.552 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 20.1 mmm180 -115.27 136.01 53.55 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.772 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.4 118.6 12.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.095 0.474 . . . . 0.0 110.687 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 69.3 mt -70.2 139.77 52.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.736 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.5 m -143.19 173.96 11.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.762 0.315 . . . . 0.0 111.573 -176.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.509 ' O ' ' HG3' ' A' ' 84' ' ' LYS . 6.2 t70 56.62 -146.18 0.58 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.644 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.716 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -50.67 -35.02 28.81 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -172.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.71 ' O ' ' HB2' ' A' ' 86' ' ' PHE . 17.4 tp10 -53.09 -50.18 64.93 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 123.191 0.307 . . . . 0.0 110.917 -176.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.794 ' O ' ' HB2' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -70.18 -28.02 64.98 Favored 'General case' 0 C--O 1.21 -1.017 0 C-N-CA 119.726 -0.79 . . . . 0.0 110.572 -179.005 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 80' ' ' ASP . 31.0 mtpt -78.4 -62.65 1.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.939 0.399 . . . . 0.0 111.447 -174.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.716 HG12 ' O ' ' A' ' 81' ' ' ALA . 2.8 p -69.99 -36.05 67.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.167 -175.258 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.71 ' HB2' ' O ' ' A' ' 82' ' ' GLU . 41.2 m-85 -85.02 -17.03 38.8 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -176.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.794 ' HB2' ' O ' ' A' ' 83' ' ' THR . 19.3 tp -63.86 -42.8 97.47 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 163.394 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 34.9 mmtp -75.06 -15.63 60.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.406 -178.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.58 -37.29 62.79 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 169.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.433 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -96.24 -58.33 1.09 Allowed Glycine 0 N--CA 1.438 -1.205 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.767 175.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.605 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 20.6 t0 -64.17 100.52 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.938 0.399 . . . . 0.0 110.773 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.3 m -97.17 -5.27 37.53 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.246 0.546 . . . . 0.0 109.841 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.619 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 0.3 OUTLIER -83.32 -26.24 30.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.753 -179.005 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.37 43.93 9.09 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.809 -176.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -109.43 -21.2 12.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.714 0.292 . . . . 0.0 111.665 -175.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.89 28.2 16.53 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.576 177.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.605 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 1.6 ptmm? -137.17 162.25 33.95 Favored 'General case' 0 CA--C 1.505 -0.755 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.491 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 16.1 mm -106.82 98.99 7.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 CA-C-O 121.395 0.617 . . . . 0.0 109.693 176.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.487 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -60.24 138.11 48.8 Favored Glycine 0 N--CA 1.43 -1.75 0 N-CA-C 108.399 -1.88 . . . . 0.0 108.399 165.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.487 ' CG2' ' HB2' ' A' ' 48' ' ' PHE . 84.3 t -65.82 -41.86 91.04 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-O 121.263 0.554 . . . . 0.0 110.388 -175.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.27 -33.75 72.76 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.154 171.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' A' ' 99' ' ' GLY . 9.2 mm-40 -68.82 -41.01 79.18 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.668 177.155 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.491 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . 25.9 t80 -65.6 -45.81 81.74 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.053 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.88 -34.81 72.74 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.559 176.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.96 89.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.853 -0.174 . . . . 0.0 111.202 178.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.444 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 7.7 ptp -74.69 -21.9 59.14 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.965 0.412 . . . . 0.0 110.469 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.461 HD11 ' CE2' ' A' ' 103' ' ' PHE . 71.7 mt -78.78 -38.34 21.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.89 0.853 . . . . 0.0 109.403 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -84.2 -22.99 30.71 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.508 -176.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.506 ' O ' ' HE3' ' A' ' 28' ' ' LYS . . . . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.163 -0.923 . . . . 0.0 110.468 178.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . 0.619 'CA ' ' OD1' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ptp . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 120.937 0.399 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.32 -28.6 59.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.912 -177.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.538 ' CE2' ' HB2' ' A' ' 9' ' ' ASP . 64.6 m-85 -117.45 137.17 52.69 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.756 177.322 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.16 4.15 27.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.393 -176.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 96.34 -9.66 67.21 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.7 -178.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.69 -36.29 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-O 121.491 0.662 . . . . 0.0 109.972 177.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.606 ' HG ' ' CE1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -138.32 140.07 39.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.391 -0.822 . . . . 0.0 108.991 172.255 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -97.26 113.72 25.38 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.538 ' HB2' ' CE2' ' A' ' 3' ' ' PHE . 9.2 t70 -49.6 -37.59 28.28 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.802 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.39 -33.47 73.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.616 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 1.2 t0 -82.55 -41.01 20.16 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.588 0.708 . . . . 0.0 110.15 -177.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.21 -46.44 96.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.756 175.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.6 m -59.76 -31.58 69.78 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.223 174.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 11' ' ' ASP . . . -66.07 -51.65 56.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.812 177.283 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.416 ' HB2' ' HD2' ' A' ' 33' ' ' LYS . . . -55.3 -41.61 72.55 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.815 0.34 . . . . 0.0 111.405 174.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 75' ' ' ALA . 47.6 mt -71.0 -36.17 72.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.376 -178.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.12 -22.91 59.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.137 0.494 . . . . 0.0 110.638 178.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.54 -22.31 61.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.413 0.625 . . . . 0.0 109.397 173.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.3 m -103.51 32.74 3.67 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.186 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -12.03 61.19 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.995 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.71 115.62 9.16 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.32 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -55.73 113.21 1.38 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.388 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.61 0.28 76.01 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.899 -0.667 . . . . 0.0 113.157 175.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.9 m -124.08 80.44 1.82 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.947 0.403 . . . . 0.0 110.807 -177.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -94.5 136.41 34.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.32 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -102.26 91.02 4.11 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.169 0.509 . . . . 0.0 109.733 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -25.41 61.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.945 -179.443 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.636 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 62.8 tttm -71.7 -51.4 23.1 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.692 -175.235 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.639 ' O ' ' HB3' ' A' ' 33' ' ' LYS . . . -55.82 -37.2 68.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.466 0.65 . . . . 0.0 110.169 175.25 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.54 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 66.2 t80 -67.04 -28.55 68.31 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.313 -177.362 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.66 ' CE1' ' HB ' ' A' ' 32' ' ' THR . 3.1 p90 -89.14 -49.48 6.72 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 119.743 -0.783 . . . . 0.0 111.753 175.188 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.66 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 4.6 t -86.64 -39.18 16.34 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -167.105 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.639 ' HB3' ' O ' ' A' ' 29' ' ' ALA . 5.8 tmtm? -80.99 -28.14 35.64 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.828 0.823 . . . . 0.0 108.996 -176.535 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.54 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 1.3 t -69.36 -33.6 58.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.146 169.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.0 22.96 28.84 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.133 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.556 HD12 ' HG3' ' A' ' 39' ' ' LYS . 20.8 tp -84.33 -20.93 31.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.648 0.261 . . . . 0.0 111.235 -176.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.473 ' HB2' ' HD1' ' A' ' 31' ' ' PHE . . . -64.29 -33.0 74.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.638 0.256 . . . . 0.0 111.467 -177.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.53 28.01 3.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.027 0.441 . . . . 0.0 111.179 -179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.556 ' HG3' HD12 ' A' ' 36' ' ' LEU . 44.0 mmtm -96.63 151.05 19.98 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.675 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 m -74.26 154.14 88.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.599 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -43.19 -46.47 9.25 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.069 2.513 . . . . 0.0 113.262 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.43 -41.79 85.85 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.728 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 69.7 m-20 -73.71 -39.41 64.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.519 0.676 . . . . 0.0 110.334 -177.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.5 mt -72.13 -25.06 23.06 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-O 121.151 0.501 . . . . 0.0 110.353 176.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 48.6 tptt -64.51 -43.96 92.43 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.868 176.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.728 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -66.22 -32.07 73.28 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.521 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.639 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 94.0 t -64.67 -32.78 59.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.895 173.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.767 ' HA ' HD11 ' A' ' 51' ' ' ILE . 17.0 m-30 -59.36 -30.39 68.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.376 0.608 . . . . 0.0 110.148 174.001 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.451 ' HB3' ' HD3' ' A' ' 55' ' ' LYS . 42.4 mt-10 -80.21 -19.06 47.84 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.963 174.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.7 HD13 ' O ' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -65.02 -45.89 93.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 177.727 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.77 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -64.84 -31.82 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 176.231 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.638 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 28.5 t0 -85.36 67.2 10.05 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.963 177.627 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -48.49 -46.71 38.58 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.272 0.558 . . . . 0.0 111.051 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -71.56 -18.85 62.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.995 -177.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.451 ' HD3' ' HB3' ' A' ' 49' ' ' GLU . 21.0 mmmt 56.0 64.32 1.76 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.12 0.486 . . . . 0.0 111.843 -178.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.4 p -130.25 10.49 5.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.781 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 73.59 -1.16 3.14 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.799 0.839 . . . . 0.0 111.623 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -118.52 122.76 43.46 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 174.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.771 ' HA ' ' OE1' ' A' ' 63' ' ' GLU . 15.7 t -115.5 94.75 3.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 120.585 0.231 . . . . 0.0 111.433 -172.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -92.7 179.95 5.34 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -172.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -69.52 -47.56 63.38 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.388 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 30.9 m-20 -62.11 -20.82 64.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.517 0.675 . . . . 0.0 110.039 -178.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.771 ' OE1' ' HA ' ' A' ' 59' ' ' VAL . 47.0 tt0 -80.65 -43.47 20.39 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.024 177.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.579 ' O ' ' HD2' ' A' ' 67' ' ' PHE . 0.5 OUTLIER -62.18 -18.1 60.01 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.574 175.726 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.49 ' HB3' HD22 ' A' ' 66' ' ' LEU . 11.2 mptt -55.0 -55.77 27.14 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.797 175.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.49 HD22 ' HB3' ' A' ' 65' ' ' LYS . 1.6 mm? -102.71 5.02 38.73 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.579 ' HD2' ' O ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -60.31 -29.99 69.2 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.031 -177.433 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.519 ' HG ' ' CE2' ' A' ' 67' ' ' PHE . 0.7 OUTLIER -71.7 -36.0 70.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.254 -178.634 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -77.61 -10.3 59.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.481 0.658 . . . . 0.0 109.403 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -86.77 -26.16 24.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.961 173.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.606 ' CE1' ' HG ' ' A' ' 7' ' ' LEU . 6.8 t80 -83.08 -51.95 7.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.199 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.1 m -142.0 173.56 11.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.262 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.63 -44.83 10.92 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -174.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.34 49.67 4.23 Favored Glycine 0 CA--C 1.512 -0.105 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.379 -176.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.46 ' HA ' HD13 ' A' ' 16' ' ' LEU . . . -104.21 161.93 13.62 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.076 0.465 . . . . 0.0 111.465 -176.317 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -110.38 132.43 54.18 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 177.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.3 117.04 14.56 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.129 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 43.2 mt -63.55 121.03 12.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.44 -177.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.516 ' O ' ' HG3' ' A' ' 82' ' ' GLU . 6.5 m -124.71 133.95 53.01 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 -177.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 64.73 -113.34 0.32 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.83 175.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.69 -26.09 65.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.879 0.371 . . . . 0.0 111.529 -172.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 79' ' ' SER . 7.5 mt-10 -64.27 -51.04 65.53 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.396 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.446 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -66.87 -42.94 84.79 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.287 177.465 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.428 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 56.5 tttm -57.03 -60.29 3.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.743 -177.144 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.8 t -65.59 -39.41 84.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.036 0.446 . . . . 0.0 110.918 -177.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -63.53 -41.73 98.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.131 -178.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.505 ' HA ' HD11 ' A' ' 98' ' ' ILE . 88.1 mt -62.63 -41.61 99.12 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 176.32 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 73.5 mmtt -65.32 -21.93 66.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.707 -177.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.79 -23.21 67.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.915 177.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.413 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -122.28 -51.56 0.23 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.928 -178.018 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.639 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 29.4 t70 -61.32 114.18 3.04 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.786 0.327 . . . . 0.0 111.037 -177.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.4 t -95.03 -13.47 25.19 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.029 0.442 . . . . 0.0 110.202 -176.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.643 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 0.9 OUTLIER -84.16 -26.0 29.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.424 -174.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.62 37.0 21.48 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.522 -176.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -103.34 -20.55 14.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.687 0.279 . . . . 0.0 111.325 -175.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.41 28.77 12.18 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.893 176.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.602 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 9.9 ptmt -132.92 171.82 13.43 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 179.081 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.598 ' O ' ' HB ' ' A' ' 59' ' ' VAL . 24.9 mm -112.56 100.05 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.398 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.777 172.614 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.11 141.33 48.12 Favored Glycine 0 N--CA 1.43 -1.72 0 N-CA-C 108.322 -1.911 . . . . 0.0 108.322 165.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.478 HG12 ' HB3' ' A' ' 48' ' ' PHE . 3.1 m -52.12 -45.65 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.275 0 CA-C-N 117.427 0.613 . . . . 0.0 111.762 -176.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -75.78 -25.6 56.56 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.437 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.413 ' HB3' ' C ' ' A' ' 90' ' ' GLY . 6.0 mm-40 -61.39 -42.66 99.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.742 174.499 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.592 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . 26.7 t80 -64.79 -42.58 94.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.225 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.1 -37.63 64.14 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.079 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.85 -33.52 75.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.882 -0.159 . . . . 0.0 111.426 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.426 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 6.3 ptp -82.97 -19.87 36.28 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.844 -177.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 103' ' ' PHE . 68.2 mt -78.23 -31.13 16.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 122.14 0.971 . . . . 0.0 109.147 176.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -92.44 -27.55 17.4 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.478 -174.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.657 -0.687 . . . . 0.0 110.941 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . 0.638 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . 0.643 'CA ' ' OD2' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptm . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.753 0.311 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.26 137.65 40.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.997 -177.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -130.11 150.58 51.31 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.822 177.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.26 144.16 30.83 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.79 3.07 4.1 Favored Glycine 0 C--N 1.331 0.288 0 O-C-N 123.278 0.361 . . . . 0.0 113.269 -176.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.7 mt -61.12 -33.36 55.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.418 0.628 . . . . 0.0 109.474 172.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.443 ' HB2' HD11 ' A' ' 12' ' ' ILE . 2.0 pt? -141.51 132.86 26.63 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.049 179.209 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -89.47 110.81 21.6 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -53.94 -31.28 49.87 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.301 -177.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.02 -41.68 77.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.818 176.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.56 -42.82 82.01 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 120.91 0.386 . . . . 0.0 110.823 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.443 HD11 ' HB2' ' A' ' 7' ' ' LEU . 1.7 mp -56.56 -49.58 77.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.799 175.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.6 m -61.77 -37.0 82.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.16 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.39 -56.34 23.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.592 0.234 . . . . 0.0 111.454 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.619 ' HB2' ' HG2' ' A' ' 33' ' ' LYS . . . -59.56 -40.62 87.91 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 178.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.416 HD13 ' HB1' ' A' ' 75' ' ' ALA . 71.3 mt -68.2 -32.45 72.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.313 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.492 ' HA ' ' NH1' ' A' ' 76' ' ' ARG . . . -69.53 -32.15 70.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.9 179.535 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.01 -3.88 44.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.399 0.619 . . . . 0.0 110.242 178.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.7 m -116.18 62.64 0.71 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.467 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 7.0 ttpm? -102.4 -26.19 13.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.103 0.478 . . . . 0.0 109.896 175.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.488 ' HB3' ' HB3' ' A' ' 24' ' ' SER . . . -70.44 127.41 32.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.939 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -62.4 119.97 10.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.838 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.69 2.12 67.57 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.48 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.488 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 32.9 t -126.39 58.15 1.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.271 0.558 . . . . 0.0 110.263 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.575 ' CD1' ' HG3' ' A' ' 82' ' ' GLU . 50.0 m-85 -102.39 103.79 14.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.202 176.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.595 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 7.8 m-20 -78.72 80.32 5.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.056 -177.347 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -62.99 -34.56 77.8 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.77 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.608 ' HG3' ' CE2' ' A' ' 31' ' ' PHE . 39.7 ttmt -71.34 -49.4 42.88 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.062 178.599 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.595 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . . . -53.3 -33.12 51.98 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.291 177.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.426 ' O ' HG22 ' A' ' 34' ' ' VAL . 76.6 t80 -60.66 -62.13 2.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.076 177.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.608 ' CE2' ' HG3' ' A' ' 28' ' ' LYS . 1.1 p90 -58.14 -35.39 71.44 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 121.177 0.513 . . . . 0.0 111.087 -176.156 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 28' ' ' LYS . 7.5 t -85.82 -21.85 27.9 Favored 'General case' 0 N--CA 1.431 -1.392 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.544 -171.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.619 ' HG2' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -88.02 -35.29 17.65 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.513 0.197 . . . . 0.0 111.328 177.107 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 30' ' ' PHE . 22.1 m -80.7 -6.9 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-O 120.975 0.417 . . . . 0.0 111.389 -178.279 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.94 13.05 72.85 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.77 177.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.484 ' O ' HG21 ' A' ' 107' ' ' ILE . 16.6 tp -81.67 11.36 4.83 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.367 0.603 . . . . 0.0 109.961 -178.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.13 -19.92 19.7 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.969 169.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.79 8.43 32.83 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.093 -177.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.475 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -56.21 160.96 2.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.344 -0.843 . . . . 0.0 112.55 177.736 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.0 m -97.11 159.76 30.6 Favored Pre-proline 0 C--N 1.318 -0.77 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 170.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.46 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 86.9 Cg_exo -43.66 -47.05 9.9 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.85 2.367 . . . . 0.0 113.647 -178.085 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.16 -29.68 70.98 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.686 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 68.7 m-20 -69.71 -42.48 73.96 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.423 HD11 ' HG2' ' A' ' 39' ' ' LYS . 14.1 mm -70.9 -23.14 23.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.856 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 41' ' ' PRO . 3.9 mmmp? -65.59 -45.99 81.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.073 0.464 . . . . 0.0 110.356 174.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.686 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -70.23 -21.13 63.03 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.515 176.853 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 43' ' ' ASP . 70.7 t -69.61 -34.75 62.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.124 173.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.571 ' HA ' HD11 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -52.82 -43.65 66.12 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 170.334 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -63.39 -27.04 69.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.935 178.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 47' ' ' VAL . 51.7 mt -71.36 -54.12 18.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.74 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -63.11 -37.55 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 C-N-CA 119.702 -0.799 . . . . 0.0 109.358 -178.394 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.606 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 20.0 t0 -83.84 72.57 10.39 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 120.114 -0.635 . . . . 0.0 109.47 178.419 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -51.44 -44.25 62.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.992 0.425 . . . . 0.0 111.038 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.604 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 1.8 p-10 -80.59 -18.61 47.72 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.575 -179.26 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 4.8 tppp? 58.77 67.67 0.9 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.477 0.656 . . . . 0.0 112.473 172.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.2 m -128.49 20.45 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.408 177.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.2 t70 73.28 -3.08 2.55 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.787 0.835 . . . . 0.0 111.304 177.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -120.75 134.34 55.29 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 173.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.74 HG11 ' HB ' ' A' ' 51' ' ' ILE . 6.5 t -123.64 86.38 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.424 -173.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -89.17 -175.87 4.93 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -176.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.54 -37.75 82.23 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.595 -174.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -55.41 -40.93 72.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.945 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.644 ' HB3' ' O ' ' A' ' 51' ' ' ILE . 1.4 mp0 -67.81 -40.7 83.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 177.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.453 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 4.1 mm? -65.69 -18.67 65.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.146 0.498 . . . . 0.0 111.156 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.489 ' O ' HD23 ' A' ' 68' ' ' LEU . 11.1 mptt -70.17 -49.64 48.4 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.514 175.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.2 mt -103.24 4.55 36.8 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -175.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.484 ' HD2' HG22 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -63.49 -23.62 67.47 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.511 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.727 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.0 mm? -61.41 -43.24 99.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.752 175.191 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -66.99 -17.55 64.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.057 178.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.4 HD21 ' C ' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -85.82 -38.7 17.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.88 175.471 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.453 ' CD2' HG21 ' A' ' 50' ' ' ILE . 1.9 t80 -62.09 -49.38 76.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.249 -174.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.2 p -132.34 -167.92 1.97 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.889 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.9 -43.87 34.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.069 0.462 . . . . 0.0 110.877 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -142.4 97.17 0.2 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.925 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.416 ' HB1' HD13 ' A' ' 16' ' ' LEU . . . -122.33 160.04 26.19 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.069 0.461 . . . . 0.0 111.115 -178.236 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.633 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 97.7 mtt180 -89.14 124.55 34.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.05 -176.155 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.479 ' HA ' HD23 ' A' ' 68' ' ' LEU . . . -63.27 129.98 42.6 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.847 178.115 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.401 ' HG ' HD21 ' A' ' 68' ' ' LEU . 14.1 mt -86.47 124.55 32.91 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.0 m -128.95 -176.21 3.79 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 64.56 -148.63 0.27 Allowed 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.508 0.505 . . . . 0.0 110.733 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.415 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -66.81 -17.49 64.91 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -174.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.575 ' HG3' ' CD1' ' A' ' 25' ' ' PHE . 6.5 mm-40 -61.56 -51.55 68.12 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -177.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.504 ' O ' ' HB2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -60.79 -38.34 85.01 Favored 'General case' 0 C--O 1.208 -1.079 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.979 178.611 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -62.21 -56.53 17.79 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -178.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 81' ' ' ALA . 8.4 p -69.5 -34.01 59.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.877 0.37 . . . . 0.0 111.213 -176.023 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -76.29 -31.64 58.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.896 0.379 . . . . 0.0 110.496 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.762 HD12 HG12 ' A' ' 98' ' ' ILE . 19.5 tp -69.57 -44.59 70.54 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 175.185 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.563 ' HA ' ' HB3' ' A' ' 91' ' ' ASP . 25.1 mmtm -69.78 -17.82 63.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.721 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.76 -27.2 66.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.032 0.444 . . . . 0.0 110.121 173.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -111.57 2.35 27.73 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.563 ' HB3' ' HA ' ' A' ' 88' ' ' LYS . 26.2 t0 -104.17 79.09 1.57 Allowed 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 171.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.1 m -91.63 -25.85 18.96 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.118 0.485 . . . . 0.0 110.373 -172.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.623 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 11.2 p-10 -89.59 -3.14 58.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.325 176.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 70.34 44.7 58.36 Favored Glycine 0 C--N 1.331 0.256 0 CA-C-N 115.439 -0.801 . . . . 0.0 113.375 172.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -109.98 12.34 23.74 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.985 0.392 . . . . 0.0 111.244 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.79 29.18 39.66 Favored Glycine 0 C--N 1.334 0.421 0 N-CA-C 114.549 0.579 . . . . 0.0 114.549 166.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.557 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 8.7 ptpp? -160.07 178.55 9.57 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 117.225 0.512 . . . . 0.0 110.428 -176.048 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.762 HG12 HD12 ' A' ' 87' ' ' LEU . 23.5 mm -92.52 114.74 29.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.286 172.119 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -72.82 138.15 25.37 Favored Glycine 0 N--CA 1.437 -1.288 0 N-CA-C 108.859 -1.696 . . . . 0.0 108.859 167.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.9 m -58.45 -49.01 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.976 0 CA-C-N 117.471 0.636 . . . . 0.0 111.918 -174.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -80.07 -25.23 40.15 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.461 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -64.07 -33.69 76.34 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.852 173.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.5 ' CE2' HD11 ' A' ' 107' ' ' ILE . 52.0 t80 -67.82 -49.82 60.14 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.996 178.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -54.75 -39.83 69.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.387 -0.911 . . . . 0.0 111.489 175.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.01 -26.85 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.477 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 4.7 ptp -78.0 -28.39 49.23 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.305 0.574 . . . . 0.0 109.836 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.5 HD11 ' CE2' ' A' ' 103' ' ' PHE . 72.2 mt -77.65 -39.6 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.34 -178.208 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -80.37 -29.41 37.87 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 114.661 -1.154 . . . . 0.0 110.267 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.207 0 CA-C-O 118.578 -0.725 . . . . 0.0 111.886 177.898 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . 0.622 'CA ' ' OE2' ' A' ' 63' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . 0.623 'CA ' ' OD1' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.4 tpp . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 120.671 0.272 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.12 8.42 10.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.872 0.368 . . . . 0.0 111.493 -178.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -123.32 160.98 25.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.916 0.389 . . . . 0.0 110.774 -179.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.02 38.72 0.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.537 -173.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 75.0 -13.24 5.68 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.096 -0.574 . . . . 0.0 113.303 177.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.531 HG23 ' OD2' ' A' ' 43' ' ' ASP . 5.5 mm -53.49 -45.15 58.03 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.106 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 175.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.471 ' HB2' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -138.08 152.87 49.2 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 170.197 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -99.33 131.76 45.12 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.827 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -56.15 -28.7 59.03 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.456 174.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.87 -47.03 41.09 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.902 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.516 ' OD2' ' HA ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -72.51 -43.77 63.13 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.151 0.501 . . . . 0.0 110.635 -172.875 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.471 HD13 ' HB2' ' A' ' 7' ' ' LEU . 1.3 mp -60.73 -45.43 97.71 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.841 174.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.8 m -63.39 -30.59 71.7 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.286 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.65 -52.91 63.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.97 0.414 . . . . 0.0 110.315 177.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.6 -36.85 84.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.452 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.457 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 83.9 mt -74.91 -28.64 60.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.763 0.316 . . . . 0.0 111.44 -178.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.72 -18.59 60.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.167 0.508 . . . . 0.0 110.073 175.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.22 -37.0 66.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.914 175.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.457 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 26.5 p -88.96 18.85 4.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.139 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -71.4 -17.56 62.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.644 0.735 . . . . 0.0 109.196 173.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.59 145.52 30.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.281 172.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -72.32 137.77 46.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.685 0.279 . . . . 0.0 110.365 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.5 16.34 76.05 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.917 -0.658 . . . . 0.0 111.503 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.5 m -119.04 7.59 11.42 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -173.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -85.88 95.85 9.59 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 119.919 -0.713 . . . . 0.0 109.9 172.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.61 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 20.3 m-20 -86.37 98.14 10.82 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 171.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 -45.89 -34.42 3.85 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.583 0.706 . . . . 0.0 111.286 176.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.582 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . 62.5 tttm -73.51 -49.95 24.0 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.262 -178.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.61 ' HB3' ' HB2' ' A' ' 26' ' ' ASP . . . -57.64 -35.09 70.04 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.181 177.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.414 ' O ' HG22 ' A' ' 34' ' ' VAL . 77.9 t80 -59.6 -58.9 6.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.806 178.164 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.582 ' CE2' ' HA ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -62.56 -34.38 76.83 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.474 0.654 . . . . 0.0 111.131 -174.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.522 HG22 ' HA ' ' A' ' 29' ' ' ALA . 2.4 t -86.54 -19.42 29.49 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.233 -172.314 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 36.8 ttmt -86.63 -49.12 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.689 178.446 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.516 ' HA ' ' OD2' ' A' ' 11' ' ' ASP . 16.2 m -74.19 -23.51 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-O 120.87 0.367 . . . . 0.0 111.344 -177.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.415 ' O ' ' HG2' ' A' ' 39' ' ' LYS . . . 105.08 14.72 21.95 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.676 -0.773 . . . . 0.0 113.43 175.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.615 ' HA ' ' CG ' ' A' ' 39' ' ' LYS . 14.2 mt -66.43 -25.88 66.96 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -178.14 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.536 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . . . -64.0 -23.73 67.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.921 0.391 . . . . 0.0 110.603 177.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -107.67 -5.45 17.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.01 177.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.615 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 46.0 mmtt -63.9 145.55 55.63 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.489 0.661 . . . . 0.0 112.125 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.2 t -74.71 148.6 85.32 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.732 177.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.427 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 53.2 Cg_exo -53.61 -21.63 19.82 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.125 2.55 . . . . 0.0 112.832 176.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.04 -40.78 62.62 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.151 0.501 . . . . 0.0 110.727 177.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.778 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 6.9 t70 -70.96 -45.71 63.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.488 177.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.0 mt -60.55 -22.21 25.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.136 0.493 . . . . 0.0 110.525 174.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.505 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 40.9 tptt -74.42 -37.73 63.26 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 120.779 0.323 . . . . 0.0 110.647 177.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.778 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -73.28 -25.39 60.65 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.191 174.302 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 43' ' ' ASP . 61.5 t -67.78 -32.3 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.889 172.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.505 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -53.7 -47.98 69.99 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 170.183 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.75 -23.84 63.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.514 177.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.557 HG22 ' HD2' ' A' ' 67' ' ' PHE . 35.1 mt -76.18 -56.24 8.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 118.906 -0.569 . . . . 0.0 112.352 178.348 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.807 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -61.4 -34.64 62.07 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.912 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.655 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 9.7 t0 -83.14 74.38 10.0 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 174.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -53.07 -43.93 67.09 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.563 0.697 . . . . 0.0 110.411 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -84.41 -9.2 58.62 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.532 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.605 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 21.9 pttp 37.02 63.69 0.67 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.153 0.981 . . . . 0.0 113.61 177.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.7 p -125.54 33.01 5.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.269 176.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 78.46 -2.26 2.39 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 115.029 -0.987 . . . . 0.0 112.018 175.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -130.33 132.65 45.95 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.807 HG11 ' HB ' ' A' ' 51' ' ' ILE . 99.8 t -115.52 89.94 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.104 -174.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -93.13 169.21 10.58 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -174.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.55 -45.92 80.96 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -176.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -57.34 -24.79 57.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.971 -177.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -77.25 -45.38 26.6 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.696 175.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.563 ' HA ' ' HB3' ' A' ' 67' ' ' PHE . 1.0 OUTLIER -62.37 -16.02 52.16 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.578 -179.503 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -61.39 -56.11 23.93 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 120.501 -0.479 . . . . 0.0 111.004 172.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -102.35 4.54 39.11 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.563 ' HB3' ' HA ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -60.08 -24.15 64.37 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.112 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.648 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.3 mm? -63.6 -43.0 98.19 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.512 175.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -72.95 -11.31 60.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.713 0.768 . . . . 0.0 109.635 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.552 ' ND2' ' HA ' ' A' ' 50' ' ' ILE . 63.4 t30 -91.0 -17.8 25.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.432 173.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.472 ' CD2' HG21 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -86.54 -43.98 12.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.469 178.534 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.5 p -153.59 174.89 13.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.935 -178.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.51 -44.56 11.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.889 0.376 . . . . 0.0 111.258 -178.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -93.14 54.56 2.51 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.135 -177.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.597 ' HB1' ' HB3' ' A' ' 68' ' ' LEU . . . -106.38 166.36 10.59 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.954 0.407 . . . . 0.0 111.615 -175.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.542 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 29.7 mmm180 -114.94 140.07 49.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.161 -178.355 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.33 121.55 23.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.822 0.344 . . . . 0.0 110.638 179.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.8 mp -68.95 113.85 6.72 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.024 176.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.5 t -118.68 143.53 46.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.793 0.33 . . . . 0.0 110.698 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 65.82 -112.05 0.22 Allowed 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.825 173.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.25 -33.58 73.47 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.554 -171.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.89 -47.74 82.0 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.484 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -62.44 -55.56 26.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.463 179.011 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -55.93 -55.48 32.13 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -175.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.6 t -70.18 -36.45 67.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.539 -173.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -70.09 -34.97 73.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.282 176.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.511 ' HA ' HD11 ' A' ' 98' ' ' ILE . 81.7 mt -64.21 -52.04 60.77 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 173.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -63.3 -16.39 60.18 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -176.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.18 -28.68 66.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.092 0.473 . . . . 0.0 110.485 172.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -119.89 -41.09 0.57 Allowed Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.926 177.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -58.99 102.53 0.12 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.376 0.607 . . . . 0.0 110.553 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.6 m -98.3 -5.88 32.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.899 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.658 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 1.9 m-20 -92.34 -25.72 18.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.308 -176.268 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.12 24.95 56.56 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.26 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.613 ' OD2' ' HG2' ' A' ' 97' ' ' LYS . 17.4 p-10 -104.94 -4.03 22.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.722 0.296 . . . . 0.0 111.307 -174.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.47 28.32 48.38 Favored Glycine 0 CA--C 1.517 0.195 0 C-N-CA 120.705 -0.759 . . . . 0.0 113.767 172.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.649 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 5.4 ptpp? -130.01 169.67 14.96 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.142 0.496 . . . . 0.0 109.905 176.115 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.611 ' O ' ' HB ' ' A' ' 59' ' ' VAL . 24.8 mm -116.1 104.94 17.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.005 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.702 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -68.12 138.27 32.6 Favored Glycine 0 N--CA 1.432 -1.576 0 N-CA-C 108.148 -1.981 . . . . 0.0 108.148 163.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.44 HG21 ' CD1' ' A' ' 48' ' ' PHE . 82.3 t -60.16 -37.62 73.97 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 CA-C-N 117.602 0.701 . . . . 0.0 110.938 -176.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.52 -38.87 88.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.178 173.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.91 -36.42 84.32 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.169 175.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.522 ' O ' ' HG2' ' A' ' 106' ' ' MET . 35.2 t80 -69.43 -46.98 65.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.46 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.4 -34.78 76.38 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.786 177.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.4 -36.74 79.55 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.522 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 10.8 ptp -72.77 -24.9 61.01 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.047 0.451 . . . . 0.0 110.35 -178.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.469 HD11 ' CE2' ' A' ' 103' ' ' PHE . 81.1 mt -80.59 -32.99 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 122.131 0.967 . . . . 0.0 109.763 177.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -95.74 7.78 45.35 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.492 -1.231 . . . . 0.0 110.288 -176.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.245 177.505 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . 0.655 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . 0.658 'CA ' ' OD2' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.728 0.299 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.06 68.19 7.26 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 175.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 66.82 -74.2 0.07 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.736 -176.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -150.93 5.25 0.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.808 177.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 83.14 -6.77 69.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.661 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.4 mt -62.44 -28.73 45.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 121.747 0.784 . . . . 0.0 109.289 174.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -137.4 149.19 46.75 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.858 176.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -101.06 114.69 28.86 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 170.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -53.77 -34.67 59.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.122 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.49 -36.6 84.73 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.561 177.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.425 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 32.1 m-20 -68.92 -47.73 65.03 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 120.964 0.411 . . . . 0.0 110.99 -178.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.504 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.9 mp -59.3 -53.34 49.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.858 177.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.0 m -54.66 -35.34 63.41 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.501 177.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.68 94.3 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.28 99.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.061 176.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 12' ' ' ILE . 4.6 mm? -62.16 -35.39 78.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.799 176.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.08 -33.11 75.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.897 0.379 . . . . 0.0 111.092 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.83 -10.73 54.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.066 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.538 ' HB3' ' CD1' ' A' ' 25' ' ' PHE . 87.1 m -129.91 29.87 4.91 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.541 -174.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -90.32 2.55 55.4 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.99 0.424 . . . . 0.0 111.307 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.4 133.1 37.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.105 175.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -61.9 126.5 27.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.251 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.401 ' H ' ' CD ' ' A' ' 82' ' ' GLU . . . 80.58 15.01 79.03 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.049 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.9 m -130.29 17.04 5.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.706 0.289 . . . . 0.0 111.322 -178.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.538 ' CD1' ' HB3' ' A' ' 19' ' ' CYS . 25.4 t80 -76.37 124.68 27.9 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 176.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -109.05 94.8 5.24 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.372 -0.531 . . . . 0.0 109.641 172.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.4 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 5.8 p-80 -55.29 -26.05 37.89 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.876 -178.63 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.551 ' HG3' ' CE2' ' A' ' 31' ' ' PHE . 29.9 ttpp -72.88 -50.94 20.75 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.407 ' HA ' HG22 ' A' ' 32' ' ' THR . . . -52.3 -38.99 59.95 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.93 174.415 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.4 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 91.7 t80 -54.33 -56.04 22.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.434 178.305 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.551 ' CE2' ' HG3' ' A' ' 28' ' ' LYS . 1.9 p90 -66.59 -37.54 85.13 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.294 0.568 . . . . 0.0 111.449 -175.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.504 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 8.6 t -86.34 -20.75 27.85 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.941 -169.134 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -83.68 -37.44 22.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.974 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.458 ' CG2' ' HB2' ' A' ' 36' ' ' LEU . 10.6 m -85.66 -11.6 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.396 -178.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.464 ' O ' ' HE2' ' A' ' 39' ' ' LYS . . . 83.89 28.61 34.16 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.213 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.458 ' HB2' ' CG2' ' A' ' 34' ' ' VAL . 12.6 tp -81.24 -17.02 50.97 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.649 -0.324 . . . . 0.0 110.918 -174.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.526 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . . . -79.9 -7.81 58.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.727 0.299 . . . . 0.0 111.473 -176.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -111.22 30.38 6.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.035 0.445 . . . . 0.0 110.625 177.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.464 ' HE2' ' O ' ' A' ' 35' ' ' GLY . 71.3 mmtt -95.72 134.19 38.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.829 -179.414 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.9 m -73.51 160.15 83.0 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.902 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_exo -43.7 -46.03 10.58 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.864 2.376 . . . . 0.0 113.202 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.87 -44.93 96.39 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.833 0.349 . . . . 0.0 111.614 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.704 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 5.2 m-20 -64.64 -44.58 90.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.376 0.608 . . . . 0.0 109.439 178.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.4 mm -64.64 -29.52 47.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.235 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 21.6 tptm -65.0 -42.12 94.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.083 0.468 . . . . 0.0 110.508 178.296 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.704 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -71.79 -25.63 62.09 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.782 -0.767 . . . . 0.0 109.27 177.021 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.761 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 96.2 t -68.44 -31.38 51.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.839 173.299 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.672 ' HA ' HD11 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -54.16 -45.33 72.01 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 169.543 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.31 -24.89 65.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.719 177.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.761 ' HB ' ' O ' ' A' ' 47' ' ' VAL . 0.3 OUTLIER -63.92 -54.6 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.686 174.459 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.792 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -70.56 -28.7 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.694 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.644 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 30.1 t0 -81.44 65.99 6.8 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 174.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.4 tm0? -68.06 -31.59 71.35 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.459 0.647 . . . . 0.0 110.509 -172.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.4 ' HB3' ' OE2' ' A' ' 63' ' ' GLU . 6.5 t70 -85.49 -11.28 54.63 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.214 177.151 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt 57.16 64.93 1.49 Allowed 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 167.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.0 m -138.75 25.96 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.026 -178.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 72.79 -2.66 2.61 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.284 0.633 . . . . 0.0 112.102 176.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -131.67 135.85 47.23 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 175.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.792 HG11 ' HB ' ' A' ' 51' ' ' ILE . 87.4 t -111.19 92.67 2.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.387 -171.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.498 ' O ' ' HB3' ' A' ' 63' ' ' GLU . 42.6 mt-10 -93.0 164.92 13.1 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -172.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -57.96 -53.75 54.71 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.58 -19.34 62.07 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.133 0.492 . . . . 0.0 110.511 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.62 ' OE1' ' HA ' ' A' ' 59' ' ' VAL . 32.8 tt0 -81.51 -43.14 19.21 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.507 176.439 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.564 ' O ' ' HD2' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -59.88 -20.0 54.6 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.277 175.647 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -53.56 -45.62 69.94 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.279 178.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -102.59 4.37 38.31 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.564 ' HD2' ' O ' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -61.7 -24.56 66.85 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.678 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.676 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.1 mm? -61.95 -51.11 69.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.051 177.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -68.11 -14.96 63.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.009 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -83.03 -38.79 22.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.402 176.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.57 -46.65 72.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.861 178.142 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.1 m -154.9 145.24 22.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.766 178.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.36 -13.91 62.35 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -174.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -111.42 29.35 8.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.342 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.43 139.63 35.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.848 0.356 . . . . 0.0 110.809 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.574 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 25.9 mmm180 -84.59 136.86 33.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.832 -176.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.435 ' HA ' HD23 ' A' ' 68' ' ' LEU . . . -67.64 118.65 11.2 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.99 0.424 . . . . 0.0 111.023 178.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.423 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 73.3 mt -69.54 130.42 42.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.496 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.446 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 14.4 m -129.38 155.83 45.03 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.984 -178.07 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 53.68 -112.0 0.66 Allowed 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 176.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.572 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -71.52 -34.14 69.82 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.749 -168.286 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 79' ' ' SER . 1.1 mm-40 -59.16 -53.26 60.34 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 -177.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.631 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 2.2 m -60.13 -44.13 95.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.106 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -55.91 -61.74 2.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.868 -177.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.572 HG12 ' O ' ' A' ' 81' ' ' ALA . 7.1 p -69.84 -29.82 42.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.917 0.389 . . . . 0.0 110.902 -175.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -64.67 -43.41 93.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.915 176.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.659 ' HA ' HD11 ' A' ' 98' ' ' ILE . 98.1 mt -65.19 -40.02 93.67 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.197 176.193 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -63.26 -25.43 68.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.112 -176.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.98 -28.46 69.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.102 0.477 . . . . 0.0 110.508 176.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.403 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -111.27 -66.83 0.53 Allowed Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.441 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.609 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 30.8 t70 -63.19 110.66 1.93 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.272 0.558 . . . . 0.0 110.632 -177.06 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.5 m -98.3 -4.45 35.05 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.21 -175.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.632 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 0.3 OUTLIER -91.77 -25.77 18.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.96 -173.79 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.43 40.68 12.65 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 -169.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.497 ' HB2' ' HB2' ' A' ' 93' ' ' ASP . 11.5 t0 -98.12 -0.59 44.1 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.43 -0.885 . . . . 0.0 111.248 -168.103 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.64 29.65 69.41 Favored Glycine 0 C--N 1.336 0.555 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.763 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.655 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 4.4 ptpp? -157.56 178.67 10.02 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 121.022 0.439 . . . . 0.0 110.329 -172.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.659 HD11 ' HA ' ' A' ' 87' ' ' LEU . 14.3 mm -114.57 109.29 27.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.301 169.184 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.76 137.13 46.54 Favored Glycine 0 N--CA 1.433 -1.538 0 N-CA-C 108.803 -1.719 . . . . 0.0 108.803 167.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.0 m -58.41 -39.91 76.37 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-O 121.287 0.565 . . . . 0.0 112.153 -174.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -80.96 -20.27 42.32 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.659 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.515 ' CD ' ' HA ' ' A' ' 91' ' ' ASP . 35.8 mt-10 -71.39 -33.57 69.61 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.789 173.373 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.574 ' CE2' HD11 ' A' ' 107' ' ' ILE . 26.6 t80 -69.6 -50.64 42.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.174 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.82 -34.72 65.58 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.566 176.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.88 -42.63 90.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.681 -0.259 . . . . 0.0 111.445 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 9.7 ptp -67.58 -27.35 66.85 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.082 0.468 . . . . 0.0 110.763 -178.428 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.574 HD11 ' CE2' ' A' ' 103' ' ' PHE . 99.3 mt -79.16 -34.15 16.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.784 0.802 . . . . 0.0 110.285 -177.062 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.9 tmmm? -87.28 -9.87 53.85 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.455 -176.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.659 -0.686 . . . . 0.0 110.969 179.128 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . 0.644 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . 0.632 'CA ' ' OD2' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.0 mtp . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 120.683 0.278 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.88 131.01 49.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.005 177.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -158.2 -177.5 6.6 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -176.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.44 163.68 2.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.049 0.452 . . . . 0.0 111.199 177.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -78.19 30.17 1.87 Allowed Glycine 0 N--CA 1.453 -0.181 0 CA-C-N 116.041 -0.527 . . . . 0.0 113.158 -176.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.509 HG23 ' OD2' ' A' ' 43' ' ' ASP . 35.5 mm -70.05 -29.88 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 171.017 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.482 ' HG ' ' CE1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -146.43 140.18 26.1 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.672 176.496 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -101.26 116.18 32.21 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 172.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -51.12 -37.62 47.12 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.898 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.35 -49.68 74.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.523 179.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -64.25 -48.53 75.41 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.22 0.534 . . . . 0.0 111.104 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.63 -48.54 85.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.395 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.4 m -60.56 -37.47 81.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.331 178.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.18 -55.48 34.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.76 -177.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.477 ' HB2' ' CD ' ' A' ' 33' ' ' LYS . . . -64.94 -36.34 84.09 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.49 -41.49 93.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 111.135 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.83 -21.54 57.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.024 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.63 -29.31 66.77 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.508 0.671 . . . . 0.0 109.898 177.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.559 ' HB3' ' HA ' ' A' ' 25' ' ' PHE . 20.2 m -104.72 50.95 0.78 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.731 -176.089 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -77.04 54.91 1.08 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 121.119 0.485 . . . . 0.0 111.129 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.414 ' HB3' ' HB2' ' A' ' 24' ' ' SER . . . -153.12 136.18 15.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.388 -178.121 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -63.0 135.33 57.23 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.26 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.81 0.18 24.51 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.807 -0.633 . . . . 0.0 113.379 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.414 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 38.9 m -119.49 46.53 1.89 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.062 0.458 . . . . 0.0 111.102 -175.473 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.559 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 28.2 m-85 -95.98 113.69 25.33 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.343 176.306 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -74.61 85.67 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.496 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -60.0 -29.53 68.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.626 0.727 . . . . 0.0 110.016 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.559 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . 42.7 tttp -74.47 -52.67 11.34 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.918 -177.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.488 ' O ' ' HB3' ' A' ' 33' ' ' LYS . . . -55.11 -34.8 63.99 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.637 177.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -62.28 -57.11 12.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.075 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.559 ' CE2' ' HA ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -60.56 -36.08 77.6 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.58 0.705 . . . . 0.0 110.875 -175.83 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.44 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 5.4 t -86.31 -21.25 27.4 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.561 -170.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.532 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -87.03 -31.22 20.66 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 121.277 -0.169 . . . . 0.0 111.112 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.532 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 15.7 m -91.51 -8.29 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -176.044 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.28 27.82 32.23 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.087 -178.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.431 ' HB2' ' CG2' ' A' ' 34' ' ' VAL . 14.9 tp -83.28 -16.92 44.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.927 0.394 . . . . 0.0 110.933 -175.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.469 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . . . -81.97 -5.23 58.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.076 0.465 . . . . 0.0 111.096 -178.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.76 38.01 3.44 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.165 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.468 ' HD2' ' CG ' ' A' ' 43' ' ' ASP . 62.3 mmtt -97.18 141.6 30.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.583 0.706 . . . . 0.0 112.357 -175.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 m -81.74 157.2 69.78 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.699 175.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_exo -44.99 -46.84 12.68 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.136 2.557 . . . . 0.0 113.862 -177.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.21 -29.75 70.84 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.875 0.369 . . . . 0.0 111.767 -177.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.683 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 11.1 t0 -75.9 -47.67 24.42 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.8 mm -62.73 -22.88 31.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.261 175.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.611 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 22.0 tptm -68.71 -42.33 77.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.986 0.422 . . . . 0.0 110.632 175.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.697 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -71.34 -26.49 62.85 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.397 -0.921 . . . . 0.0 109.147 175.275 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.733 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 86.8 t -65.54 -34.2 68.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.99 172.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.611 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -50.53 -47.4 57.59 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 169.091 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -62.07 -23.07 66.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.261 178.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.733 ' HB ' ' O ' ' A' ' 47' ' ' VAL . 0.3 OUTLIER -65.26 -59.3 4.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 176.764 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.869 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -71.53 -31.45 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 -178.205 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.648 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 10.9 t0 -82.06 74.86 9.02 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 177.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.645 ' OE1' ' HB2' ' A' ' 70' ' ' ASN . 50.2 tp60 -50.0 -47.03 53.18 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.924 0.869 . . . . 0.0 110.75 178.349 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.491 ' HB3' ' OE2' ' A' ' 63' ' ' GLU . 17.7 t70 -84.9 -8.71 58.66 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.965 -179.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.608 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 12.5 ptmm? 41.17 65.7 0.78 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 173.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.7 m -124.12 30.18 6.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.403 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 69.41 8.91 7.04 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.216 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -143.91 127.08 16.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.433 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.869 HG11 ' HB ' ' A' ' 51' ' ' ILE . 57.6 t -112.22 100.73 11.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.611 -172.111 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -93.48 174.11 7.36 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.61 0.226 . . . . 0.0 111.61 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -64.06 -36.83 85.28 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.612 0.244 . . . . 0.0 111.135 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -50.95 -30.21 14.28 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.429 0.633 . . . . 0.0 110.397 176.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.554 ' O ' ' HB3' ' A' ' 67' ' ' PHE . 44.0 mt-10 -86.2 -40.52 15.52 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.017 -177.482 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.723 ' HG ' HD21 ' A' ' 87' ' ' LEU . 4.5 mm? -58.33 -18.19 25.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.883 0.373 . . . . 0.0 111.074 176.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.474 ' O ' HD23 ' A' ' 68' ' ' LEU . 23.0 mmtp -67.15 -58.78 4.23 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.833 177.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -102.29 4.66 39.39 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -176.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.554 ' HB3' ' O ' ' A' ' 63' ' ' GLU . 0.8 OUTLIER -57.68 -24.95 59.37 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.261 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 2.8 mm? -59.57 -55.88 28.98 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.31 176.545 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -60.97 -21.47 63.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.103 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.645 ' HB2' ' OE1' ' A' ' 53' ' ' GLN . 35.9 t30 -74.76 -38.97 62.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.18 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.58 ' CD1' HG13 ' A' ' 50' ' ' ILE . 5.1 t80 -84.72 -42.02 15.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.279 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.9 m -152.57 135.65 15.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.17 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.44 -22.31 62.72 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -172.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -100.57 26.3 25.09 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.3 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.509 ' CB ' ' HB3' ' A' ' 68' ' ' LEU . . . -91.88 154.5 18.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.897 0.379 . . . . 0.0 110.928 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.695 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 29.2 mmm180 -95.38 127.14 41.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.725 -175.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.55 131.2 47.32 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.026 0.441 . . . . 0.0 110.508 178.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.465 ' HG ' HD21 ' A' ' 68' ' ' LEU . 59.3 mt -82.15 117.95 22.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.851 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.7 p -123.75 130.49 52.72 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -175.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.23 -92.88 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.649 175.449 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.04 -45.29 27.68 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -169.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.8 pm0 -69.34 -31.31 69.67 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.946 -178.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -42.73 85.57 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 173.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -60.4 -54.1 49.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.106 -177.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 48.8 t -66.95 -43.74 89.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.866 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -61.02 -41.38 96.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.011 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.723 HD21 ' HG ' ' A' ' 64' ' ' LEU . 65.2 mt -62.46 -54.06 45.69 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 176.402 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -63.46 -17.42 62.7 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -176.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.27 -34.56 72.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.001 0.429 . . . . 0.0 110.109 175.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.412 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -114.74 -48.84 0.53 Allowed Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.808 179.372 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.635 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 27.2 t70 -60.95 102.11 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 178.418 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.8 p -96.51 -21.56 17.63 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.89 0.376 . . . . 0.0 110.637 -174.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -84.06 -6.59 59.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.361 0.601 . . . . 0.0 110.774 -179.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 67.34 48.55 57.58 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.263 -0.881 . . . . 0.0 113.54 171.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.637 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 2.5 p-10 -109.16 -9.07 15.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.817 0.341 . . . . 0.0 110.472 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.97 28.81 17.04 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.215 176.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.597 ' HB3' ' OD2' ' A' ' 95' ' ' ASP . 0.0 OUTLIER -138.68 146.94 42.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.154 0.502 . . . . 0.0 110.235 -175.484 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.539 ' O ' ' HB ' ' A' ' 59' ' ' VAL . 26.2 mm -93.02 98.48 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.279 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.83 175.328 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -63.66 139.84 43.76 Favored Glycine 0 N--CA 1.435 -1.41 0 N-CA-C 108.118 -1.993 . . . . 0.0 108.118 165.141 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.487 HG21 ' CD1' ' A' ' 48' ' ' PHE . 92.4 t -63.23 -40.17 88.03 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.286 0 CA-C-N 117.719 0.759 . . . . 0.0 110.84 -175.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -68.31 -33.25 73.98 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.155 173.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 99' ' ' GLY . 11.3 mm-40 -61.13 -44.03 97.96 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.354 0.597 . . . . 0.0 109.658 173.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.486 ' CE2' HD11 ' A' ' 107' ' ' ILE . 26.0 t80 -64.78 -44.52 89.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.354 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.38 -31.86 63.36 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.187 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.39 -41.63 80.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.878 -0.161 . . . . 0.0 110.996 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.6 ptp -71.64 -19.3 62.12 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.939 0.4 . . . . 0.0 110.578 -178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.486 HD11 ' CE2' ' A' ' 103' ' ' PHE . 83.7 mt -82.32 -33.51 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.724 0.773 . . . . 0.0 109.926 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.9 tmmm? -90.37 -21.69 21.85 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.646 -176.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.73 -0.652 . . . . 0.0 110.718 179.539 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . 0.648 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . 0.637 'CA ' ' OD1' ' A' ' 95' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.5 mmm . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.68 0.276 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.31 124.63 3.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.848 0.356 . . . . 0.0 110.403 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.96 -42.2 60.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.993 178.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 49.37 -131.24 1.85 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.687 175.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.63 5.76 51.67 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.468 173.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.476 HG23 ' OD2' ' A' ' 43' ' ' ASP . 34.9 mm -62.03 -32.29 53.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-O 121.51 0.671 . . . . 0.0 109.234 175.427 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 7' ' ' LEU . 3.7 pp -145.48 150.57 36.71 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.875 169.045 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -100.27 107.82 19.73 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 172.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -47.32 -37.84 11.66 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.936 -176.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.85 -49.25 73.51 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.363 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.12 -38.61 72.3 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 120.902 0.382 . . . . 0.0 111.443 -177.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.44 ' CD1' ' HB2' ' A' ' 7' ' ' LEU . 1.7 mp -62.48 -46.15 97.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.868 176.169 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 54.3 m -64.4 -37.54 87.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.185 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.73 -46.67 88.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.724 0.297 . . . . 0.0 111.095 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.65 -40.34 80.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.046 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.1 mt -65.86 -41.09 92.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.217 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.67 -24.98 58.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.936 0.398 . . . . 0.0 111.122 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.34 -15.47 61.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.079 0.466 . . . . 0.0 110.309 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 55.4 m -115.91 18.86 15.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.27 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.449 ' HA ' ' CZ ' ' A' ' 76' ' ' ARG . 40.6 ttmt -64.02 -34.36 77.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.118 -174.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.97 132.72 34.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.543 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.58 114.65 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.327 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.49 -15.5 29.69 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.464 -175.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.6 t -96.98 19.75 12.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.203 0.525 . . . . 0.0 110.065 178.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -81.0 129.69 34.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.479 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.465 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 21.6 m-20 -123.91 90.53 3.29 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.542 175.314 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.429 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 36.4 t60 -46.53 -54.9 8.43 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.317 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.563 ' O ' HG22 ' A' ' 32' ' ' THR . 87.7 tttt -72.17 -46.32 56.84 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.438 -173.619 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . . . -58.13 -33.74 69.48 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.488 177.006 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.634 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 90.1 t80 -55.7 -60.37 3.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.616 176.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.444 ' CE1' HG12 ' A' ' 107' ' ' ILE . 81.3 m-85 -67.23 -36.65 82.11 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -174.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 28' ' ' LYS . 10.2 t -76.34 -32.02 58.44 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.615 -178.341 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -80.86 -35.17 33.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.204 0.526 . . . . 0.0 110.174 178.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.634 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -74.92 -23.04 17.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.742 -178.288 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.92 26.72 30.86 Favored Glycine 0 C--N 1.333 0.37 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.439 177.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.529 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 11.7 tp -92.57 -12.71 31.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.854 0.359 . . . . 0.0 111.249 -175.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.04 -24.68 59.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.879 0.371 . . . . 0.0 111.667 -175.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.05 32.28 4.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.072 0.463 . . . . 0.0 111.164 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.523 ' HG3' HD12 ' A' ' 36' ' ' LEU . 69.8 mmtt -88.54 140.21 29.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.198 0.523 . . . . 0.0 111.96 -178.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.1 m -80.69 158.57 70.72 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.105 177.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -43.51 -45.27 10.56 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.356 2.704 . . . . 0.0 114.052 -177.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.14 84.64 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.553 ' O ' HG23 ' A' ' 47' ' ' VAL . 12.1 t0 -72.53 -47.35 49.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -178.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.448 ' HA ' HD13 ' A' ' 44' ' ' ILE . 10.5 mm -62.95 -22.69 31.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.056 0.455 . . . . 0.0 110.868 178.154 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.403 ' HD2' ' HA ' ' A' ' 45' ' ' LYS . 21.3 tptm -69.06 -48.19 63.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.885 0.374 . . . . 0.0 110.405 176.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.701 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -67.09 -25.48 66.24 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.425 -0.91 . . . . 0.0 109.165 175.62 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.666 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 71.2 t -65.6 -35.04 74.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.449 173.336 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.527 ' HB2' ' CG1' ' A' ' 100' ' ' VAL . 0.0 OUTLIER -52.57 -42.19 64.25 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.241 0.544 . . . . 0.0 109.54 170.412 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -72.67 -16.73 61.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.228 178.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.701 HD13 ' O ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -66.74 -50.69 63.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.832 -0.167 . . . . 0.0 111.336 175.305 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.807 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -73.15 -27.91 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.671 179.14 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.623 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 20.7 t0 -87.55 66.89 9.17 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 174.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -58.89 -33.15 70.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.095 0.474 . . . . 0.0 111.285 -175.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -78.46 -19.67 52.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.083 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt 56.83 63.29 1.98 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.417 0.627 . . . . 0.0 110.526 -173.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 55.7 p -124.78 5.2 8.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.361 -173.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 56' ' ' SER . 24.6 m-20 76.06 -0.73 3.08 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.315 0.646 . . . . 0.0 111.259 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -129.76 130.43 45.38 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 172.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.821 ' HA ' ' OE1' ' A' ' 63' ' ' GLU . 79.7 t -111.74 91.82 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.373 -173.495 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' A' ' 63' ' ' GLU . 46.4 mt-10 -93.6 166.14 12.39 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -177.407 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -62.55 -40.58 97.28 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 111.3 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.04 -22.01 60.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.28 0.562 . . . . 0.0 110.695 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.821 ' OE1' ' HA ' ' A' ' 59' ' ' VAL . 38.1 tt0 -88.48 -39.35 14.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.192 177.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.561 ' HA ' ' HB3' ' A' ' 67' ' ' PHE . 0.5 OUTLIER -61.09 -18.95 60.68 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-O 121.152 0.501 . . . . 0.0 110.85 175.148 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.44 ' HE3' ' OG ' ' A' ' 79' ' ' SER . 12.7 mptt -56.58 -48.36 77.55 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.97 174.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.426 HD22 ' HB3' ' A' ' 65' ' ' LYS . 1.8 mm? -103.0 4.93 37.9 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -177.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.575 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 0.3 OUTLIER -62.44 -24.63 67.54 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.486 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.736 HD22 ' H ' ' A' ' 68' ' ' LEU . 1.7 mm? -63.35 -46.7 85.37 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.675 177.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -66.01 -18.45 65.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.109 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -83.45 -41.39 18.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.009 178.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -72.39 -34.27 67.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.992 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.0 m -153.98 125.29 7.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.308 174.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.47 -32.08 68.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.808 -170.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -103.7 26.27 23.94 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.348 -0.929 . . . . 0.0 112.926 -178.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.46 156.77 21.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.066 0.46 . . . . 0.0 111.102 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.449 ' CZ ' ' HA ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -90.58 140.41 29.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.251 -179.023 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.03 139.24 41.36 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.055 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.464 ' HG ' HD21 ' A' ' 68' ' ' LEU . 12.8 mt -95.76 113.43 25.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.903 -179.37 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.44 ' OG ' ' HE3' ' A' ' 65' ' ' LYS . 50.6 m -145.56 86.82 1.76 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.265 0.555 . . . . 0.0 111.244 177.557 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -178.47 -154.24 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.82 -16.27 62.88 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 120.964 0.412 . . . . 0.0 110.42 177.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -73.63 -41.9 62.16 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.147 -173.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.84 -46.29 85.7 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.897 176.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -58.76 -56.78 17.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.689 -175.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 77.8 t -63.61 -46.13 95.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.015 0.436 . . . . 0.0 111.319 -177.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -64.88 -35.01 79.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.949 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.8 tp -70.05 -45.57 66.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.092 176.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.574 ' NZ ' ' HA2' ' A' ' 94' ' ' GLY . 73.4 mmtt -64.8 -17.11 63.92 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.916 -178.164 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.71 -26.35 63.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.22 0.533 . . . . 0.0 110.081 173.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -113.11 -51.1 0.52 Allowed Glycine 0 N--CA 1.443 -0.835 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.387 175.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -60.28 93.35 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.126 0.489 . . . . 0.0 110.468 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.7 m -99.94 -7.08 25.63 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.258 0.551 . . . . 0.0 110.296 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.65 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 1.4 m-20 -86.85 -24.21 25.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.973 -176.344 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.574 ' HA2' ' NZ ' ' A' ' 88' ' ' LYS . . . 79.92 20.27 68.33 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.951 -178.412 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -100.43 -6.49 25.54 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -175.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 91.78 30.93 9.79 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 120.138 -1.029 . . . . 0.0 113.254 170.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 20.2 ptmt -147.08 169.33 19.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.552 0.691 . . . . 0.0 111.08 -174.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.538 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 31.7 mm -118.97 107.34 21.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.282 178.183 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -65.51 141.11 41.98 Favored Glycine 0 N--CA 1.434 -1.436 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 164.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.527 ' CG1' ' HB2' ' A' ' 48' ' ' PHE . 83.4 t -59.49 -40.2 81.23 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 CA-C-N 117.591 0.696 . . . . 0.0 111.136 -175.084 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -64.06 -30.5 71.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.654 174.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -68.49 -37.29 79.98 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.156 0.503 . . . . 0.0 109.688 175.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.598 ' O ' HG13 ' A' ' 107' ' ' ILE . 26.8 t80 -71.5 -47.32 56.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.249 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.78 -39.8 78.22 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.613 177.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.16 -34.43 78.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.73 -0.235 . . . . 0.0 111.163 177.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.44 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 4.9 ptp -80.38 -18.69 48.23 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-O 120.913 0.387 . . . . 0.0 110.655 -178.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.598 HG13 ' O ' ' A' ' 103' ' ' PHE . 78.5 mt -75.58 -32.02 24.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.897 0.856 . . . . 0.0 108.871 176.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -87.78 -30.65 20.1 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.404 -1.271 . . . . 0.0 110.915 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.347 -0.835 . . . . 0.0 110.515 178.495 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . 0.623 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . 0.65 'CA ' ' OD1' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ptp . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 111.39 0.144 . . . . 0.0 111.39 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.91 134.17 19.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.834 0.35 . . . . 0.0 110.565 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -99.74 -178.05 3.75 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.195 179.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.84 33.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -174.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.58 -15.58 3.58 Favored Glycine 0 CA--C 1.517 0.206 0 C-N-CA 121.4 -0.429 . . . . 0.0 113.363 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.9 mt -53.82 -42.76 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.545 0.688 . . . . 0.0 109.894 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.472 ' HB2' HD11 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -144.16 136.86 26.99 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.147 -0.933 . . . . 0.0 108.989 174.056 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -98.73 130.94 45.22 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -48.02 -49.33 31.45 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.696 0.76 . . . . 0.0 109.621 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.58 -46.64 83.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.301 -1.318 . . . . 0.0 112.16 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.17 -46.13 82.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.951 0.405 . . . . 0.0 111.483 -175.197 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.472 HD11 ' HB2' ' A' ' 7' ' ' LEU . 1.8 mp -63.9 -45.98 95.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.283 178.487 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.4 m -60.15 -35.68 75.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.01 178.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.11 94.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.299 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.32 -40.54 74.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.033 0.444 . . . . 0.0 110.203 178.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.419 HD13 ' HB1' ' A' ' 75' ' ' ALA . 45.5 mt -65.29 -23.65 67.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.209 178.049 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.36 -27.6 25.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.876 177.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.44 -43.28 70.2 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 121.423 0.63 . . . . 0.0 110.322 -177.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.49 ' HB2' ' HA ' ' A' ' 25' ' ' PHE . 21.6 p -122.41 58.07 1.07 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.168 -179.603 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -81.36 -11.01 59.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.078 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' ' 24' ' ' SER . . . -73.78 117.9 16.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -62.69 120.43 11.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.02 6.11 56.07 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 -176.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.448 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 36.9 m -141.65 23.48 2.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.883 0.373 . . . . 0.0 110.474 178.299 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.49 ' HA ' ' HB2' ' A' ' 19' ' ' CYS . 54.4 t80 -69.27 126.58 30.2 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.144 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.454 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 4.0 t70 -108.66 84.93 2.01 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.198 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.45 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 5.6 p80 -54.63 -32.23 58.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.302 -176.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.513 ' O ' HG22 ' A' ' 32' ' ' THR . 73.0 tttt -78.09 -42.26 32.67 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.522 -176.451 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.454 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . . . -56.88 -36.87 70.59 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 174.061 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.45 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 65.2 t80 -55.47 -55.13 35.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.397 175.218 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.421 ' CD2' ' HA ' ' A' ' 107' ' ' ILE . 24.6 m-85 -62.28 -46.99 86.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.908 -176.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.513 HG22 ' O ' ' A' ' 28' ' ' LYS . 7.6 t -71.46 -21.73 61.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.82 0.343 . . . . 0.0 111.59 -177.231 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 81.9 tttt -84.39 -44.1 14.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.694 0.283 . . . . 0.0 111.124 -178.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.5 m -76.27 -15.95 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 CA-C-O 120.842 0.353 . . . . 0.0 111.327 -178.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.65 17.98 29.2 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.576 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.452 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 14.9 tp -91.51 8.27 37.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.882 0.372 . . . . 0.0 111.232 -175.082 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.8 -24.87 16.88 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.146 0.498 . . . . 0.0 109.745 171.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -112.35 27.54 9.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.99 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -74.65 177.82 5.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.391 179.552 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.417 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 21.1 m -113.69 164.73 15.11 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.052 173.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 40' ' ' SER . 91.2 Cg_exo -45.13 -46.31 13.63 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.162 2.575 . . . . 0.0 114.361 -177.288 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.71 -34.08 77.47 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.718 0.294 . . . . 0.0 111.723 -176.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.6 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 4.6 m-20 -62.72 -57.68 10.12 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.733 0.778 . . . . 0.0 109.697 -178.512 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.438 HD12 ' HE2' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -67.84 -26.59 35.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.774 -176.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 43.3 tptt -61.96 -45.95 91.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.01 0.433 . . . . 0.0 110.396 179.025 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.6 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -72.82 -24.6 60.93 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.325 -0.55 . . . . 0.0 109.853 179.428 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.565 ' HA ' HD12 ' A' ' 50' ' ' ILE . 97.8 t -66.51 -34.9 73.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.814 174.072 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.705 ' HA ' HD11 ' A' ' 51' ' ' ILE . 19.6 m-30 -59.54 -37.66 79.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.886 173.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -69.63 -19.53 63.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.134 176.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.565 HD12 ' HA ' ' A' ' 47' ' ' VAL . 61.9 mt -73.87 -47.28 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.705 HD11 ' HA ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -64.62 -30.21 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.49 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.625 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 38.8 t0 -86.76 69.44 10.31 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 169.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -49.43 -50.51 40.51 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.33 -174.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.614 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 5.5 p-10 -76.9 -19.12 57.8 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.119 178.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.535 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 25.8 ttpp 59.87 66.95 0.92 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.731 0.777 . . . . 0.0 112.427 175.125 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.2 m -127.91 31.7 5.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.616 177.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 69.5 12.2 8.16 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.541 0.736 . . . . 0.0 111.802 177.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -144.22 131.95 21.27 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.621 HG21 ' HB ' ' A' ' 51' ' ' ILE . 0.5 OUTLIER -127.42 94.5 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-O 122.11 0.957 . . . . 0.0 110.307 -174.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.553 ' HG2' ' H ' ' A' ' 61' ' ' GLU . 30.9 tt0 -93.35 178.51 5.7 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.911 -173.39 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.553 ' H ' ' HG2' ' A' ' 60' ' ' GLU . 8.2 tt0 -56.8 -41.54 77.93 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.41 -30.08 68.21 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.343 0.592 . . . . 0.0 110.413 178.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.552 ' O ' ' HB3' ' A' ' 67' ' ' PHE . 40.6 mt-10 -79.89 -42.84 23.35 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.331 177.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.648 ' HG ' HD21 ' A' ' 87' ' ' LEU . 3.3 mm? -62.79 -18.45 62.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.491 0.662 . . . . 0.0 110.537 175.345 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.511 ' HD3' ' O ' ' A' ' 78' ' ' LEU . 1.4 tppt? -72.68 -52.79 13.83 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.844 178.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.462 HD22 ' NE2' ' A' ' 69' ' ' GLN . 30.6 mt -102.79 4.81 38.3 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -176.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.552 ' HB3' ' O ' ' A' ' 63' ' ' GLU . 1.0 OUTLIER -61.43 -24.4 66.51 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.696 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.643 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.5 mm? -60.62 -43.63 97.27 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.027 174.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.462 ' NE2' HD22 ' A' ' 66' ' ' LEU . 78.8 mt-30 -70.7 -15.11 62.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.969 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -86.06 -34.8 20.6 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.419 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -66.52 -48.13 70.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.416 174.9 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.45 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 49.1 m -150.83 132.8 15.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.0 176.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.89 -31.8 51.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.411 -0.813 . . . . 0.0 113.074 -170.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -114.6 72.05 0.24 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.58 -0.819 . . . . 0.0 111.924 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.419 ' HB1' HD13 ' A' ' 16' ' ' LEU . . . -122.94 148.9 44.94 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.594 0.235 . . . . 0.0 111.166 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.52 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 5.7 mpt_? -71.94 130.18 40.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.046 177.387 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.69 120.13 18.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.26 175.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.511 ' O ' ' HD3' ' A' ' 65' ' ' LYS . 6.4 mp -63.19 116.3 5.29 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.103 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.546 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 13.1 p -111.34 155.63 22.79 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -171.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.9 t70 54.47 -109.75 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.999 -1.0 . . . . 0.0 112.704 171.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.554 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -80.36 -20.8 43.3 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -170.414 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 79' ' ' SER . 2.6 mm-40 -64.6 -52.33 58.06 Favored 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.85 -39.65 81.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.182 177.331 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -58.18 -61.6 2.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.835 -177.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.554 HG12 ' O ' ' A' ' 81' ' ' ALA . 7.6 p -71.12 -27.93 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.963 0.411 . . . . 0.0 110.826 -176.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -69.78 -38.1 76.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.267 177.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.648 HD21 ' HG ' ' A' ' 64' ' ' LEU . 64.4 mt -64.53 -43.55 93.64 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 175.141 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -64.14 -28.45 69.77 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.835 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.75 -37.53 71.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.11 0.481 . . . . 0.0 110.907 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.412 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -107.08 -53.17 0.7 Allowed Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.145 -178.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -78.25 113.91 16.65 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.8 t -86.11 -14.27 44.72 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.142 0.496 . . . . 0.0 109.881 -172.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.617 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 0.2 OUTLIER -78.8 -27.39 44.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.387 0.613 . . . . 0.0 109.512 178.299 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 68.29 30.68 73.63 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -174.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.59 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 2.8 p30 -80.14 -8.47 59.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.673 0.273 . . . . 0.0 111.623 -172.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.22 -9.26 53.96 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.523 -0.846 . . . . 0.0 113.184 175.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.577 ' HG2' ' OD1' ' A' ' 95' ' ' ASP . 4.1 ptpp? -117.57 159.62 22.59 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.663 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.594 ' H ' HG22 ' A' ' 59' ' ' VAL . 16.1 mm -101.5 110.25 27.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.002 176.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -61.12 137.77 47.94 Favored Glycine 0 N--CA 1.437 -1.26 0 N-CA-C 108.775 -1.73 . . . . 0.0 108.775 166.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.3 m -55.09 -44.81 76.02 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.121 0 CA-C-N 117.95 0.875 . . . . 0.0 111.798 -174.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.44 -17.67 53.79 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.748 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' A' ' 99' ' ' GLY . 7.7 mm-40 -63.21 -43.97 96.62 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 170.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.559 ' CD2' HD11 ' A' ' 107' ' ' ILE . 25.6 t80 -63.05 -48.19 79.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.508 -179.145 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.86 -34.28 61.17 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.256 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.88 -30.71 65.69 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.489 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 7.6 ptp -77.32 -23.52 50.95 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.931 0.396 . . . . 0.0 110.45 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.559 HD11 ' CD2' ' A' ' 103' ' ' PHE . 66.6 mt -80.03 -37.46 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.697 0.761 . . . . 0.0 109.824 -178.054 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.416 ' HE3' ' HB3' ' A' ' 108' ' ' LYS . 0.6 OUTLIER -84.74 -12.74 53.13 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.564 -178.662 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.678 -0.677 . . . . 0.0 110.935 178.304 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . 0.625 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . 0.617 'CA ' ' OD2' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.2 mmm . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 67.46 -72.61 0.09 Allowed 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.871 0.732 . . . . 0.0 110.662 -175.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -114.79 111.34 21.1 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 174.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.72 -176.03 3.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.952 -177.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.9 19.16 2.83 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.496 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.456 HG23 ' OD2' ' A' ' 43' ' ' ASP . 25.3 mm -59.85 -36.24 65.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 173.567 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.68 142.98 33.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.497 176.055 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -101.07 109.15 21.01 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 176.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -51.26 -35.54 37.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.106 -177.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.81 -45.85 80.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.334 178.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.95 -42.84 97.2 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.104 0.478 . . . . 0.0 110.746 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.412 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.8 mp -59.79 -55.46 23.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.072 175.533 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.2 m -54.13 -35.55 62.32 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.646 178.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.33 -44.57 96.97 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.878 0.37 . . . . 0.0 110.64 178.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.89 96.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.515 176.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.46 ' HG ' ' HA ' ' A' ' 75' ' ' ALA . 4.4 mm? -64.84 -24.49 67.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.028 177.462 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.77 -36.82 62.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.857 0.36 . . . . 0.0 110.903 178.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.06 -28.85 39.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.061 0.458 . . . . 0.0 110.662 178.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.542 ' SG ' ' HA ' ' A' ' 25' ' ' PHE . 62.3 m -116.67 63.1 0.72 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.425 -178.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -109.39 2.77 20.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.194 0.521 . . . . 0.0 110.439 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.49 139.57 46.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.007 -177.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -64.26 115.55 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.955 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.06 -24.07 19.63 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 111.431 -0.668 . . . . 0.0 111.431 -176.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.8 t -96.26 -4.26 42.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.78 0.324 . . . . 0.0 110.452 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.542 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 50.5 p90 -80.55 146.73 31.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.023 0.439 . . . . 0.0 111.14 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -137.57 102.18 4.69 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 169.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -53.13 -36.76 61.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.724 -175.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.47 ' O ' HG22 ' A' ' 32' ' ' THR . 2.8 tmmm? -67.38 -50.67 58.77 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.853 -178.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.5 -34.56 64.72 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.061 177.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -56.69 -58.89 6.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.945 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -68.04 -35.96 79.1 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -174.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 28' ' ' LYS . 9.7 t -75.22 -23.26 57.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.784 0.326 . . . . 0.0 111.129 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -83.43 -46.57 12.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.737 -178.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.2 m -72.8 -10.27 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 CA-C-O 120.981 0.42 . . . . 0.0 110.938 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.18 24.85 60.58 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.516 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.491 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 11.5 tp -81.49 -18.98 43.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.099 0.476 . . . . 0.0 110.462 -178.513 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.74 -15.54 63.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.559 -178.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.84 38.68 3.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.912 0.387 . . . . 0.0 110.939 -178.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.491 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 29.8 mmtp -99.37 165.72 11.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.313 0.578 . . . . 0.0 112.021 -178.012 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.2 m -100.34 159.52 29.52 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.068 178.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -43.5 -49.19 7.89 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.43 2.753 . . . . 0.0 114.115 -177.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.88 -35.45 80.04 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.997 0.427 . . . . 0.0 111.721 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.62 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 10.1 t70 -70.76 -45.48 64.71 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -178.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.502 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 4.5 mt -71.52 -20.94 21.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.856 177.34 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.577 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 49.8 tptt -63.13 -45.37 92.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.99 0.424 . . . . 0.0 110.419 174.157 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.62 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -70.32 -22.91 62.77 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.703 -0.799 . . . . 0.0 109.362 175.624 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.583 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 78.0 t -66.72 -30.32 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.948 172.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.577 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -56.1 -47.39 78.13 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 168.918 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -64.72 -15.52 61.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.859 177.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.583 ' HB ' ' O ' ' A' ' 47' ' ' VAL . 32.9 mm -76.5 -53.72 14.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.752 ' HB ' HG21 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -70.18 -31.17 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 118.511 0.596 . . . . 0.0 109.483 177.465 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.577 ' CG ' ' HA ' ' A' ' 55' ' ' LYS . 8.5 t0 -83.56 77.37 9.85 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 174.597 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -57.06 -32.97 66.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.634 0.73 . . . . 0.0 109.743 -178.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.619 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 0.0 OUTLIER -99.46 -2.29 36.4 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.223 179.308 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.577 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 20.1 pttm 39.21 66.01 0.61 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 175.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 68.4 m -121.54 25.57 9.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.092 177.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 78.03 -2.08 2.5 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.059 0.944 . . . . 0.0 111.703 176.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -137.28 136.99 38.53 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 175.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.752 HG21 ' HB ' ' A' ' 51' ' ' ILE . 1.3 m -117.09 113.88 44.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-O 121.274 0.559 . . . . 0.0 109.561 -177.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -93.01 -177.38 4.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.258 -176.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -70.35 -47.1 62.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.809 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -58.17 -26.44 62.74 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.137 0.494 . . . . 0.0 110.008 177.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.406 ' OE2' ' HA ' ' A' ' 59' ' ' VAL . 27.8 mt-10 -72.26 -51.53 20.53 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.611 174.31 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.562 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -63.61 -18.87 64.36 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 111.578 -179.845 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.425 ' O ' HD23 ' A' ' 68' ' ' LEU . 20.1 mmtp -60.11 -54.75 42.23 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.218 0.532 . . . . 0.0 110.608 173.217 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.0 mt -103.93 5.15 35.42 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.378 -175.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.562 ' HD1' ' O ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -61.89 -24.22 66.8 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.769 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.656 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.4 mm? -60.95 -46.91 88.82 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.108 174.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -71.46 -12.41 61.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.917 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.46 ' HB3' ' O ' ' A' ' 67' ' ' PHE . 53.1 t30 -83.12 -33.29 26.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.249 175.135 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -82.51 -45.34 14.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.447 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.7 t -150.92 148.1 28.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.107 0.48 . . . . 0.0 110.772 -179.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.47 -8.42 59.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.167 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -107.46 15.2 38.8 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.122 179.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.46 ' HA ' ' HG ' ' A' ' 16' ' ' LEU . . . -95.45 155.11 16.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.917 0.389 . . . . 0.0 111.146 -177.484 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.602 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 29.2 mmm180 -106.5 148.07 28.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.693 -176.436 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.65 123.6 24.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.787 0.327 . . . . 0.0 110.428 176.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.7 mp -67.68 154.1 42.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.433 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.4 p -97.17 -171.82 2.3 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -169.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -48.88 -73.27 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.853 0.861 . . . . 0.0 113.296 -172.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.588 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -78.02 -22.32 49.44 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.246 -173.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -65.0 -57.44 8.69 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.508 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.567 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 6.8 m -57.82 -40.75 80.75 Favored 'General case' 0 C--O 1.226 -0.144 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.065 175.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -55.84 -60.07 3.99 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.062 -177.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 81' ' ' ALA . 10.1 p -74.48 -27.22 20.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.953 0.406 . . . . 0.0 110.93 -176.474 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -64.19 -36.02 82.7 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.339 -0.391 . . . . 0.0 109.972 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 83' ' ' THR . 79.8 mt -64.0 -42.28 97.22 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.107 0.479 . . . . 0.0 109.975 172.21 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -66.23 -17.93 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.263 -176.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.85 -23.41 67.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.137 0.494 . . . . 0.0 110.336 174.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.443 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -120.48 -59.86 0.24 Allowed Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.536 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.613 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 26.4 t0 -72.31 105.51 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 177.321 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.0 t -88.78 -14.31 37.39 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.405 0.621 . . . . 0.0 109.34 -174.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.626 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 1.6 m-20 -78.25 -26.32 47.22 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.933 -176.117 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.48 36.7 22.71 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.777 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.589 ' HB2' ' HG2' ' A' ' 97' ' ' LYS . 58.0 m-20 -81.35 -21.04 39.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.122 0.487 . . . . 0.0 110.375 -178.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.03 24.82 23.92 Favored Glycine 0 C--N 1.33 0.199 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.684 -178.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.589 ' HG2' ' HB2' ' A' ' 95' ' ' ASP . 20.5 ptmt -134.92 178.83 6.71 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 122.929 0.491 . . . . 0.0 109.708 -175.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.589 ' HB ' ' CG2' ' A' ' 59' ' ' VAL . 8.9 mm -127.12 109.53 20.79 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.016 168.276 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -68.3 138.1 32.06 Favored Glycine 0 N--CA 1.436 -1.337 0 N-CA-C 109.04 -1.624 . . . . 0.0 109.04 166.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.477 HG21 ' CD1' ' A' ' 48' ' ' PHE . 84.9 t -59.68 -41.78 86.36 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.101 0 CA-C-N 117.241 0.521 . . . . 0.0 111.008 -176.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -61.17 -37.91 84.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.228 0.537 . . . . 0.0 110.163 173.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.459 ' OE2' ' HA ' ' A' ' 91' ' ' ASP . 48.6 mt-10 -67.31 -39.27 85.9 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.356 178.16 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.571 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . 21.1 t80 -67.32 -46.66 72.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.174 178.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.54 -31.64 60.38 Favored Glycine 0 N--CA 1.452 -0.251 0 CA-C-N 115.938 -0.573 . . . . 0.0 112.326 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.17 -39.97 82.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.527 0.203 . . . . 0.0 110.999 177.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.9 ptp -75.89 -20.11 58.31 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.722 0.296 . . . . 0.0 110.721 -178.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.557 HD11 ' CD2' ' A' ' 103' ' ' PHE . 78.4 mt -78.56 -38.19 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.823 0.821 . . . . 0.0 109.517 178.237 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.8 tmmm? -83.06 -17.12 44.34 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.372 -1.285 . . . . 0.0 110.699 -176.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.499 -0.762 . . . . 0.0 110.96 -179.952 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . 0.619 'CA ' ' OD1' ' A' ' 54' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . 0.626 'CA ' ' OD2' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 tmm? . . . . . 0 N--CA 1.482 1.167 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.09 142.22 43.16 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.269 0.355 . . . . 0.0 111.618 -177.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 55.81 44.93 25.23 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.368 -179.314 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 62.68 8.96 3.25 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.918 179.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 68.6 14.17 66.78 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.321 -178.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.492 HG23 ' OD2' ' A' ' 43' ' ' ASP . 34.6 mm -61.93 -46.17 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.542 0.687 . . . . 0.0 109.57 177.344 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.406 HD23 ' N ' ' A' ' 7' ' ' LEU . 1.6 pt? -132.25 127.2 35.22 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.721 177.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -76.06 105.22 6.98 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 174.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -54.98 -36.17 65.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.576 -173.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.22 -42.33 98.41 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.497 177.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -71.29 -41.31 70.14 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.005 0.431 . . . . 0.0 110.832 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.416 ' HA ' HG12 ' A' ' 34' ' ' VAL . 1.8 mp -58.07 -49.85 80.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.943 175.062 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.4 m -60.11 -37.4 79.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.001 178.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.4 -43.74 93.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.968 0.413 . . . . 0.0 111.166 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.94 -39.24 87.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.541 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.746 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 81.2 mt -68.04 -30.48 69.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.957 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.06 -29.27 66.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.285 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.35 -43.1 28.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.456 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.746 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 27.2 p -80.46 4.17 19.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.16 0.505 . . . . 0.0 110.995 -179.061 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -80.71 -18.53 47.55 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 171.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.47 109.75 18.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.756 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.47 ' HA ' ' CZ ' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -68.15 113.25 5.64 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.479 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.06 3.16 33.91 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.667 -176.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.2 m -141.83 56.69 1.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.212 0.529 . . . . 0.0 110.663 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.544 ' HB3' ' OE1' ' A' ' 82' ' ' GLU . 61.1 m-85 -96.19 130.2 43.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.368 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -137.22 91.95 2.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.434 0.635 . . . . 0.0 109.717 173.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.486 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 4.7 t60 -69.27 -26.54 64.81 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.577 -176.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.438 ' O ' HG22 ' A' ' 32' ' ' THR . 39.2 ttpt -68.84 -46.96 67.2 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 176.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.452 ' HA ' ' CG2' ' A' ' 32' ' ' THR . . . -59.13 -30.46 68.15 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.324 176.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.486 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 75.7 t80 -57.05 -57.08 14.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.225 176.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.517 ' CD2' ' HA ' ' A' ' 107' ' ' ILE . 29.0 m-85 -64.24 -38.89 92.66 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -176.31 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.452 ' CG2' ' HA ' ' A' ' 29' ' ' ALA . 5.0 t -75.38 -21.93 57.89 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.381 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -86.74 -44.32 11.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.115 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 30' ' ' PHE . 22.0 m -69.13 -18.08 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 CA-C-O 120.798 0.333 . . . . 0.0 111.114 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.16 22.78 40.1 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.566 177.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.554 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 15.2 tp -96.1 12.39 30.86 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-O 121.012 0.434 . . . . 0.0 111.268 -176.067 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.51 -22.61 18.13 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 171.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -110.33 27.73 9.34 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.008 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -72.7 174.13 8.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.603 0.716 . . . . 0.0 112.727 178.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.5 m -109.65 163.3 17.41 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.153 175.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.514 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 94.1 Cg_exo -45.26 -51.35 7.91 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.934 2.423 . . . . 0.0 113.771 -178.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.55 -22.45 63.55 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.845 0.355 . . . . 0.0 111.774 -176.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.646 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 15.4 t0 -67.09 -49.7 64.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.577 0.703 . . . . 0.0 109.129 -178.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.532 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 2.5 mt -66.88 -19.3 25.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.246 177.256 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.785 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 27.0 mmtp -70.67 -37.03 73.62 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.895 -0.503 . . . . 0.0 111.313 175.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.646 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -72.59 -21.95 61.06 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.011 -1.076 . . . . 0.0 108.858 172.495 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.532 ' HB ' ' O ' ' A' ' 44' ' ' ILE . 92.1 t -68.75 -36.03 72.44 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.129 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.102 171.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.785 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 5.6 t80 -45.81 -48.14 15.71 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 169.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -69.63 -28.24 65.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.942 -1.026 . . . . 0.0 112.001 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.638 HG13 ' O ' ' A' ' 46' ' ' LYS . 51.0 mt -68.03 -54.29 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -175.043 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.883 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -63.85 -36.1 75.49 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.714 0 C-N-CA 119.581 -0.848 . . . . 0.0 109.175 -178.199 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.625 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 28.0 t0 -87.82 77.2 8.61 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 108.866 -0.791 . . . . 0.0 108.866 175.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.514 ' H ' ' HG3' ' A' ' 63' ' ' GLU . 4.5 pp0? -59.74 -22.09 61.61 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -172.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.622 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 1.8 p-10 -104.1 -4.42 23.23 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.521 0.2 . . . . 0.0 110.915 176.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt 45.41 65.62 1.09 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 172.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 22.2 p -130.07 22.24 5.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.266 174.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 56' ' ' SER . 1.6 m-20 78.79 17.46 0.99 Allowed 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.188 -0.915 . . . . 0.0 113.038 172.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -141.65 130.46 22.95 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 174.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.883 HG11 ' HB ' ' A' ' 51' ' ' ILE . 46.4 t -126.07 81.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.603 -172.494 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -79.63 -174.2 4.17 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.698 0.285 . . . . 0.0 111.271 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.17 -39.31 94.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.689 0.281 . . . . 0.0 111.012 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.23 -28.32 66.58 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.195 0.522 . . . . 0.0 110.569 176.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.514 ' HG3' ' H ' ' A' ' 53' ' ' GLN . 1.8 tp10 -69.35 -48.25 61.91 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.673 177.185 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.461 ' HA ' ' HB3' ' A' ' 67' ' ' PHE . 4.2 mm? -63.03 -19.75 64.67 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.193 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.497 ' O ' HD23 ' A' ' 68' ' ' LEU . 12.0 mptt -66.67 -51.1 59.89 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.083 0.468 . . . . 0.0 110.68 178.141 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 51.6 mt -102.75 4.52 38.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.202 0.525 . . . . 0.0 111.991 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.577 ' CD2' HG22 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -60.43 -23.64 64.56 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 175.812 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 2.5 mm? -65.2 -40.2 93.87 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.833 174.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -67.79 -19.15 65.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.444 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.495 HD21 ' C ' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -83.6 -42.01 17.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.426 174.283 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.416 ' CD2' HG21 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -61.99 -46.52 88.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.74 -177.484 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.429 ' OG ' ' HB2' ' A' ' 75' ' ' ALA . 11.6 p -148.99 165.61 31.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.264 -177.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.86 -43.88 43.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.198 -177.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -107.95 80.78 0.28 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.445 179.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.529 ' HB1' ' HB3' ' A' ' 68' ' ' LEU . . . -121.65 165.28 15.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.962 0.411 . . . . 0.0 111.915 -174.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.616 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 1.2 mmp_? -110.27 125.89 53.6 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.824 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.446 ' HA ' HD23 ' A' ' 68' ' ' LEU . . . -66.21 119.91 12.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.937 0.399 . . . . 0.0 111.197 -179.575 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.461 ' HG ' ' HG2' ' A' ' 82' ' ' GLU . 6.2 mp -65.71 134.56 53.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.893 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.2 m -147.58 -178.79 6.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.403 -179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 65.12 -158.01 0.29 Allowed 'General case' 0 C--O 1.236 0.373 0 O-C-N 123.594 0.559 . . . . 0.0 110.609 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.685 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -55.41 -26.6 42.7 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -177.294 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.629 ' O ' ' HB2' ' A' ' 86' ' ' PHE . 8.3 tp10 -52.75 -51.92 58.6 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 122.604 0.362 . . . . 0.0 110.801 -177.155 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.833 ' O ' ' HB3' ' A' ' 87' ' ' LEU . 1.2 m -67.63 -30.35 69.89 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.821 -179.096 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -72.58 -61.73 1.7 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.179 0.514 . . . . 0.0 111.181 -175.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.685 HG12 ' O ' ' A' ' 81' ' ' ALA . 2.7 p -76.7 -35.77 25.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.605 -173.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.629 ' HB2' ' O ' ' A' ' 82' ' ' GLU . 22.8 m-85 -86.82 -18.41 31.07 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -174.058 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.833 ' HB3' ' O ' ' A' ' 83' ' ' THR . 0.1 OUTLIER -81.02 -26.73 36.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 166.303 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -70.09 -21.26 63.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.457 173.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.42 -23.58 50.32 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.172 0.51 . . . . 0.0 110.708 174.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.59 ' O ' ' HB3' ' A' ' 102' ' ' GLU . . . -103.83 -61.06 0.68 Allowed Glycine 0 N--CA 1.442 -0.916 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.875 -178.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.596 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 49.1 t0 -59.37 111.82 1.52 Allowed 'General case' 0 C--O 1.233 0.201 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 -177.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.5 m -87.09 -20.46 27.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.275 0.559 . . . . 0.0 110.181 -172.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.626 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 0.3 OUTLIER -82.78 -25.75 32.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.171 -179.02 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 70.29 43.83 61.59 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -173.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.597 ' OD2' ' HG2' ' A' ' 97' ' ' LYS . 4.4 p-10 -107.52 -8.33 16.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.578 -0.311 . . . . 0.0 110.953 -173.436 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.33 28.73 5.96 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.705 -0.759 . . . . 0.0 114.176 169.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.597 ' HG2' ' OD2' ' A' ' 95' ' ' ASP . 8.5 ptpp? -152.89 146.5 25.06 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 121.685 0.755 . . . . 0.0 111.008 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.568 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 20.9 mm -88.67 100.45 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.816 174.599 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -62.16 138.11 45.73 Favored Glycine 0 N--CA 1.433 -1.524 0 N-CA-C 107.705 -2.158 . . . . 0.0 107.705 162.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.707 HG21 ' CD2' ' A' ' 48' ' ' PHE . 93.3 t -63.76 -37.8 80.63 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 CA-C-N 118.051 0.926 . . . . 0.0 110.938 -173.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -59.67 -44.16 93.69 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.578 172.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.59 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 5.3 mm-40 -57.08 -43.97 82.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.405 176.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.647 ' O ' HG13 ' A' ' 107' ' ' ILE . 17.3 t80 -62.21 -45.65 92.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.195 -179.44 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -54.33 -35.5 55.79 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.323 178.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.16 -32.92 71.11 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.3 ptp -79.08 -22.73 44.86 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.95 0.405 . . . . 0.0 110.103 178.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.647 HG13 ' O ' ' A' ' 103' ' ' PHE . 67.1 mt -75.54 -35.63 32.58 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-O 121.899 0.857 . . . . 0.0 109.338 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.24 -31.85 20.06 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.965 -178.487 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.733 -0.651 . . . . 0.0 110.512 -179.619 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . 0.625 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . 0.626 'CA ' ' OD2' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.08 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.507 ' CG2' ' HE3' ' A' ' 39' ' ' LYS . 56.2 mt -59.63 -32.6 49.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 121.601 0.715 . . . . 0.0 109.575 172.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.41 ' H ' HD23 ' A' ' 7' ' ' LEU . 1.3 pt? -121.07 149.72 42.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.737 175.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -101.62 106.18 17.2 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 175.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -50.13 -37.98 36.93 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.386 -176.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.69 -41.15 96.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -72.54 -37.36 68.31 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 120.665 0.269 . . . . 0.0 110.943 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.57 -54.42 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.47 172.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.4 m -60.37 -39.21 86.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.509 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.93 -61.46 2.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.765 -178.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.44 -32.83 74.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.303 -177.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.707 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 67.6 mt -69.55 -31.32 69.45 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.82 0.343 . . . . 0.0 111.486 178.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.94 -29.06 64.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.001 0.429 . . . . 0.0 109.931 175.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.39 -42.06 19.14 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.134 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.707 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 31.9 p -81.95 45.37 0.91 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.774 0.797 . . . . 0.0 110.574 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -115.36 -13.44 11.66 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.829 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.63 132.47 48.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.343 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.99 120.0 11.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.04 0.447 . . . . 0.0 110.561 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.65 -18.46 29.61 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 -175.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.1 m -108.7 51.02 0.76 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.14 -0.53 . . . . 0.0 109.76 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -102.26 58.0 0.81 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.023 -174.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -87.83 77.58 8.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 122.061 0.934 . . . . 0.0 109.243 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.632 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -84.84 -20.94 30.09 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.433 -175.241 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.469 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 16.1 mtmm -67.79 -33.06 74.08 Favored 'General case' 0 N--CA 1.423 -1.819 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 175.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 33' ' ' LYS . . . -65.14 -31.63 72.92 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.948 173.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.632 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 51.5 t80 -57.01 -50.73 71.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.342 175.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.469 ' CD2' ' HA ' ' A' ' 28' ' ' LYS . 15.4 m-85 -60.18 -46.68 88.88 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.772 0.32 . . . . 0.0 111.096 -177.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.0 t -74.22 -21.75 59.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.636 -177.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 47.7 tttm -81.63 -48.66 11.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.835 0.35 . . . . 0.0 110.899 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.4 m -75.0 -8.54 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.562 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.86 19.43 53.8 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.508 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.422 HD12 ' HG3' ' A' ' 39' ' ' LYS . 13.7 tp -77.04 -21.7 54.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.804 0.335 . . . . 0.0 110.574 -175.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.05 -4.64 48.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.104 0.478 . . . . 0.0 110.455 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -116.95 44.27 2.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.765 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.507 ' HE3' ' CG2' ' A' ' 6' ' ' ILE . 15.5 mmtm -108.61 149.78 28.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.049 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.5 m -92.62 162.39 29.53 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 177.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.506 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 81.3 Cg_exo -42.87 -49.78 6.57 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.972 2.448 . . . . 0.0 113.332 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.93 -43.38 91.16 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 120.785 0.326 . . . . 0.0 111.586 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.735 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 37.1 m-20 -64.75 -48.08 75.86 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.426 HD13 ' HA ' ' A' ' 44' ' ' ILE . 6.1 mm -61.46 -24.95 35.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.39 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.645 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 30.4 mmtp -77.6 -31.88 53.23 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 122.086 -0.384 . . . . 0.0 111.894 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.735 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -74.67 -30.85 61.73 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 173.249 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 43' ' ' ASP . 38.5 t -68.74 -30.92 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.653 174.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.741 ' HA ' HD11 ' A' ' 51' ' ' ILE . 2.0 t80 -52.18 -49.51 63.71 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.236 0.541 . . . . 0.0 110.196 169.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -66.75 -15.29 63.44 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.023 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.598 ' HA ' ' ND2' ' A' ' 70' ' ' ASN . 51.9 mt -75.68 -50.63 22.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 119.229 -0.415 . . . . 0.0 111.867 174.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.741 HD11 ' HA ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -67.5 -22.1 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 176.677 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.428 ' CG ' ' H ' ' A' ' 56' ' ' SER . 38.9 t0 -93.25 62.89 3.54 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 170.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -65.35 -21.04 66.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.181 0.515 . . . . 0.0 110.581 -172.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.553 ' OD1' ' HG2' ' A' ' 63' ' ' GLU . 1.5 m-20 -85.06 -19.05 32.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.368 177.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.7 tptt 60.74 63.83 1.25 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 121.818 0.818 . . . . 0.0 109.686 -173.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.428 ' H ' ' CG ' ' A' ' 52' ' ' ASP . 52.5 p -122.15 10.37 10.01 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.375 -173.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.7 t70 70.82 -3.26 2.03 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.576 0.75 . . . . 0.0 110.964 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -136.85 150.83 48.52 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.678 HG21 ' HB ' ' A' ' 51' ' ' ILE . 0.4 OUTLIER -122.28 102.36 11.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.65 0.738 . . . . 0.0 110.455 -176.624 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.481 ' OE2' ' HE3' ' A' ' 97' ' ' LYS . 59.7 mm-40 -94.42 174.92 6.89 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.105 -179.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -58.98 -43.29 91.36 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.668 0.27 . . . . 0.0 111.64 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -60.62 -22.01 63.33 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.991 0.424 . . . . 0.0 111.199 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.553 ' HG2' ' OD1' ' A' ' 54' ' ' ASP . 44.1 mt-10 -81.92 -39.96 23.01 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 177.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.62 ' HG ' HD21 ' A' ' 87' ' ' LEU . 2.7 mm? -62.94 -19.19 64.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.95 0.405 . . . . 0.0 111.154 176.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.442 ' HB3' HD22 ' A' ' 66' ' ' LEU . 11.5 mptt -65.5 -52.57 51.79 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.008 177.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.497 HD12 ' NE2' ' A' ' 69' ' ' GLN . 1.4 mm? -103.07 3.86 36.51 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -179.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.624 ' CD1' ' HG ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -62.1 -26.82 68.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.381 0.61 . . . . 0.0 109.552 -177.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.624 ' HG ' ' CD1' ' A' ' 67' ' ' PHE . 0.7 OUTLIER -73.2 -34.02 65.72 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.424 -178.447 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.497 ' NE2' HD12 ' A' ' 66' ' ' LEU . 78.6 mt-30 -67.82 -23.74 65.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.345 0.593 . . . . 0.0 109.441 175.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.598 ' ND2' ' HA ' ' A' ' 50' ' ' ILE . 53.4 t30 -82.83 -29.09 29.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.562 176.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -71.84 -51.19 23.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.371 175.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.4 m -148.03 141.13 24.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.885 178.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.64 -28.12 69.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.541 -170.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -110.15 47.27 1.06 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.281 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.435 ' HB1' HD13 ' A' ' 16' ' ' LEU . . . -101.09 157.61 16.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.874 0.369 . . . . 0.0 111.172 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.51 ' O ' HD13 ' A' ' 68' ' ' LEU . 20.3 mmt180 -92.36 142.34 27.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.498 -177.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.1 133.27 36.08 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 175.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.516 ' HG ' HD11 ' A' ' 68' ' ' LEU . 45.4 mt -74.81 142.87 44.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.595 -172.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.8 p -96.73 -171.49 2.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.969 -176.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -48.86 -66.64 0.37 Allowed 'General case' 0 CA--C 1.505 -0.771 0 O-C-N 123.68 0.612 . . . . 0.0 112.503 -174.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.5 -26.45 60.01 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.867 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.462 ' OE1' ' HB2' ' A' ' 19' ' ' CYS . 21.4 tp10 -66.77 -57.59 6.76 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.684 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.5 m -59.48 -37.55 78.54 Favored 'General case' 0 C--O 1.223 -0.329 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.185 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -59.06 -61.6 2.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.679 -177.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.98 -38.18 81.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.56 -176.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.412 ' HE2' HD12 ' A' ' 64' ' ' LEU . 11.2 t80 -60.45 -51.4 69.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.04 177.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.62 HD21 ' HG ' ' A' ' 64' ' ' LEU . 76.6 mt -57.25 -51.86 67.63 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 120.986 0.422 . . . . 0.0 110.082 178.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm -65.41 -15.45 62.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.771 -174.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.69 -37.23 63.02 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.548 ' CA ' ' HB3' ' A' ' 106' ' ' MET . . . -114.36 -42.46 0.82 Allowed Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.015 177.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.439 ' HA ' ' CD ' ' A' ' 102' ' ' GLU . 25.7 t0 -60.06 94.12 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.145 0.497 . . . . 0.0 109.985 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.8 m -96.97 -27.51 14.6 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.054 -175.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.0 p30 -83.0 -7.01 59.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.32 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.92 44.95 90.82 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.299 -0.864 . . . . 0.0 113.247 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 39.2 p-10 -109.22 20.07 18.73 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.9 28.81 73.28 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.318 -0.468 . . . . 0.0 112.908 171.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.52 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 6.5 ptmt -144.14 167.01 23.42 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -174.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.591 HD11 ' HA ' ' A' ' 87' ' ' LEU . 25.0 mm -105.71 98.06 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 170.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.65 137.43 48.67 Favored Glycine 0 N--CA 1.433 -1.51 0 N-CA-C 107.159 -2.376 . . . . 0.0 107.159 166.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.468 HG11 ' CD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -70.61 -18.56 21.21 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 CA-C-N 118.599 1.2 . . . . 0.0 110.841 -170.465 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -81.0 -34.32 33.01 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.038 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.504 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 16.1 mt-10 -62.52 -38.09 88.61 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 170.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.731 ' O ' ' HG2' ' A' ' 106' ' ' MET . 18.2 t80 -62.81 -53.08 59.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.209 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.37 -35.15 60.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.554 -0.832 . . . . 0.0 111.882 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.79 -45.24 68.41 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.731 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 8.8 ptm -67.41 -31.33 71.46 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.631 0.253 . . . . 0.0 111.399 -177.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.641 HD11 ' CE2' ' A' ' 103' ' ' PHE . 75.5 mt -75.89 -38.41 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-O 121.654 0.74 . . . . 0.0 109.648 -177.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.54 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -77.98 -31.75 50.9 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 114.633 -1.167 . . . . 0.0 109.884 -177.566 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 O-C-N 123.728 0.642 . . . . 0.0 110.15 -174.673 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.72 -35.07 49.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 121.803 0.811 . . . . 0.0 109.397 172.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.591 HD13 ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -128.53 156.11 43.8 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.5 176.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -102.1 135.57 43.46 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -57.45 -34.35 68.88 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 176.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.46 -40.73 76.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.065 -0.97 . . . . 0.0 112.1 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.663 ' OD1' ' HA ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -77.56 -42.36 35.6 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.125 0.488 . . . . 0.0 110.567 -173.157 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.444 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.6 mp -57.86 -54.35 32.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.226 171.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.5 m -56.59 -33.12 65.9 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.267 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.2 -44.1 87.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.84 0.353 . . . . 0.0 110.582 177.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.02 -41.1 82.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.087 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 12' ' ' ILE . 4.6 mm? -61.98 -38.85 90.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.294 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.98 -25.69 59.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.884 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.732 ' O ' ' HB3' ' A' ' 24' ' ' SER . . . -76.08 -43.43 43.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.905 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.1 m -87.06 47.06 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.989 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -66.54 -37.26 84.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.642 -174.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.498 ' H ' ' HB2' ' A' ' 24' ' ' SER . . . -166.56 -157.29 0.27 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.779 0.323 . . . . 0.0 111.748 -175.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.421 ' HA ' ' CE2' ' A' ' 25' ' ' PHE . 54.7 mm-40 -52.24 133.97 33.76 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.586 -0.733 . . . . 0.0 112.028 -177.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.19 -7.59 10.53 Favored Glycine 0 CA--C 1.519 0.337 0 CA-C-N 115.451 -0.795 . . . . 0.0 113.356 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.732 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 45.7 m -99.39 -27.67 13.64 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.571 -0.37 . . . . 0.0 111.438 -177.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.559 ' CD1' HG11 ' A' ' 85' ' ' VAL . 3.6 p90 -69.5 118.31 12.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.371 0.605 . . . . 0.0 111.779 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.425 ' OD2' ' HB3' ' A' ' 28' ' ' LYS . 15.7 t70 -137.91 97.79 3.5 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.48 173.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.424 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 3.7 p-80 -52.13 -33.05 38.3 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.38 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.559 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 64.0 tttm -67.85 -53.79 24.05 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.749 -178.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.68 -38.5 64.26 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.148 174.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.424 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 78.2 t80 -55.85 -58.93 5.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.919 178.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 28' ' ' LYS . 1.9 p90 -62.41 -38.72 90.78 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.272 0.558 . . . . 0.0 111.274 -174.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 28' ' ' LYS . 8.3 t -86.57 -21.09 27.06 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.114 -170.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -80.82 -42.87 20.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.481 177.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.663 ' HA ' ' OD1' ' A' ' 11' ' ' ASP . 11.3 m -80.91 -1.17 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-O 121.211 0.529 . . . . 0.0 111.03 178.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.449 ' O ' ' HG2' ' A' ' 39' ' ' LYS . . . 65.74 34.06 87.73 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.815 -0.629 . . . . 0.0 112.372 178.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.568 HD11 HG21 ' A' ' 47' ' ' VAL . 12.2 tp -76.75 -33.4 58.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.829 0.347 . . . . 0.0 110.707 -177.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.49 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . . . -67.21 -21.13 65.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -93.51 -6.11 47.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.27 178.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 46.4 mmtm -72.21 144.77 48.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.413 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.3 m -75.13 157.12 85.51 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.848 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -43.75 -47.56 9.65 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.193 2.596 . . . . 0.0 113.51 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.24 95.88 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.193 0.521 . . . . 0.0 111.683 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.536 ' O ' HG23 ' A' ' 47' ' ' VAL . 19.7 m-20 -68.15 -42.9 79.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.789 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 mt -70.36 -23.42 24.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.043 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 21.4 tptm -64.65 -44.45 90.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.009 0.433 . . . . 0.0 110.935 177.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.748 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -72.69 -24.07 60.96 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.039 -0.664 . . . . 0.0 109.827 176.214 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.568 HG21 HD11 ' A' ' 36' ' ' LEU . 96.1 t -65.24 -38.55 82.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.298 0.571 . . . . 0.0 109.711 171.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.762 ' HA ' HD11 ' A' ' 51' ' ' ILE . 10.5 m-30 -59.23 -35.76 74.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.214 176.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.748 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 8.3 pt-20 -79.07 -15.7 57.82 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.449 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.699 HG13 ' O ' ' A' ' 46' ' ' LYS . 47.1 mt -70.28 -45.66 74.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.423 176.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.776 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -62.56 -35.4 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 176.018 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.403 ' OD2' ' HA ' ' A' ' 55' ' ' LYS . 34.8 t0 -80.65 62.51 4.74 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.211 174.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.33 -37.16 72.11 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.533 0.682 . . . . 0.0 110.813 -171.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.589 ' HB3' ' OE2' ' A' ' 63' ' ' GLU . 3.1 t70 -75.77 -18.67 59.45 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.575 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.403 ' HA ' ' OD2' ' A' ' 52' ' ' ASP . 24.3 tptp 62.53 65.01 0.87 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 122.14 0.971 . . . . 0.0 110.834 -176.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.413 ' C ' ' H ' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -110.73 -0.81 16.93 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.665 -1.152 . . . . 0.0 110.462 -179.113 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 56' ' ' SER . 2.5 m-20 71.63 -1.12 2.91 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.685 0.794 . . . . 0.0 110.374 -174.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.413 ' H ' ' C ' ' A' ' 56' ' ' SER . 96.5 m-85 -136.12 139.3 42.83 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 172.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.776 HG11 ' HB ' ' A' ' 51' ' ' ILE . 59.5 t -103.67 114.21 42.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.384 -173.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -88.17 177.39 6.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.9 0.381 . . . . 0.0 111.304 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -66.4 -46.35 76.9 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.976 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -68.79 -23.24 64.27 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.662 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.589 ' OE2' ' HB3' ' A' ' 54' ' ' ASP . 44.6 mt-10 -70.81 -39.4 73.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.075 172.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.568 ' HG ' HD13 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -62.85 -28.96 70.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.581 179.81 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.473 ' HB3' HD22 ' A' ' 66' ' ' LEU . 9.6 mptt -60.5 -55.71 30.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.872 -179.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.473 HD22 ' HB3' ' A' ' 65' ' ' LYS . 1.2 mm? -100.61 5.39 43.89 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.702 -0.399 . . . . 0.0 112.024 -175.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.597 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -58.05 -32.25 67.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.399 0.619 . . . . 0.0 109.538 178.832 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.597 ' HG ' ' CE2' ' A' ' 67' ' ' PHE . 1.2 mp -72.18 -34.02 68.12 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.667 -177.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -71.27 -19.15 62.38 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -82.8 -35.09 26.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.275 174.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -65.46 -50.27 65.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.451 176.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.9 m -150.41 137.61 19.47 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.888 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.2 -27.31 68.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.505 -172.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -99.36 16.0 59.53 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.43 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.79 150.08 26.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.994 0.426 . . . . 0.0 111.049 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.2 mtp-105 -81.87 148.79 28.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.238 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.444 ' HA ' HD13 ' A' ' 68' ' ' LEU . . . -90.27 118.75 30.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.154 173.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.5 mp -65.16 137.34 57.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.717 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.525 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 16.9 m -133.87 142.98 48.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.915 0.388 . . . . 0.0 111.665 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.2 t70 57.92 -108.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.359 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.471 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -69.64 -39.82 76.9 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -168.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 79' ' ' SER . 3.7 pt-20 -67.9 -34.98 77.69 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.351 -175.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.506 ' O ' ' HB2' ' A' ' 87' ' ' LEU . 3.6 m -67.56 -48.56 66.57 Favored 'General case' 0 C--O 1.216 -0.704 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 173.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -54.67 -59.74 4.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.409 -175.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.559 HG11 ' CD1' ' A' ' 25' ' ' PHE . 8.4 p -67.32 -38.81 81.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.534 0.207 . . . . 0.0 111.55 -174.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -71.53 -31.9 67.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.388 . . . . 0.0 110.343 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.755 HD12 HG12 ' A' ' 98' ' ' ILE . 13.6 tp -68.44 -47.39 67.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.467 0.651 . . . . 0.0 109.671 177.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -70.04 -17.45 63.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.933 -177.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.48 -29.18 66.01 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.384 0.612 . . . . 0.0 110.224 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.448 ' O ' ' HB3' ' A' ' 102' ' ' GLU . . . -107.83 -53.32 0.67 Allowed Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.842 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.489 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 22.6 t0 -65.96 99.21 0.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.155 0.502 . . . . 0.0 109.744 176.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.4 m -96.92 -16.68 20.56 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.595 -171.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -103.06 -0.46 30.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.955 -175.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.0 53.03 4.37 Favored Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.678 -0.772 . . . . 0.0 114.409 170.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.442 ' CB ' ' HG2' ' A' ' 97' ' ' LYS . 37.1 m-20 -86.68 -21.52 26.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.225 0.512 . . . . 0.0 110.207 176.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.52 24.68 60.26 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -173.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.7 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 19.4 ptpt -158.64 175.7 13.31 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -176.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.755 HG12 HD12 ' A' ' 87' ' ' LEU . 5.9 mm -101.31 113.83 38.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.268 0.556 . . . . 0.0 110.969 177.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -71.07 136.04 24.92 Favored Glycine 0 N--CA 1.434 -1.483 0 N-CA-C 107.96 -2.056 . . . . 0.0 107.96 162.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.507 HG13 ' HB3' ' A' ' 48' ' ' PHE . 13.7 t -58.02 -42.77 83.58 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 117.549 0.675 . . . . 0.0 111.337 -174.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -71.63 -30.43 65.75 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.996 0.427 . . . . 0.0 110.081 178.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.448 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 29.8 mt-10 -65.31 -35.35 80.74 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.408 177.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.442 ' O ' ' HG2' ' A' ' 106' ' ' MET . 57.3 t80 -64.6 -42.43 95.56 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 177.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.4 -37.27 65.51 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.572 175.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.1 -30.31 71.49 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.442 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 6.0 ptp -83.71 -22.31 32.05 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.94 -178.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 103' ' ' PHE . 45.0 mt -75.38 -30.25 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 122.31 1.053 . . . . 0.0 109.032 178.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.1 tmmt? -94.49 -17.57 22.3 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.147 -1.388 . . . . 0.0 111.006 -177.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.653 -0.689 . . . . 0.0 110.663 179.624 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.559 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.408 HD13 ' HA ' ' A' ' 6' ' ' ILE . 20.8 mm -63.38 -40.77 90.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.509 0.671 . . . . 0.0 109.265 172.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.401 ' O ' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -149.41 135.39 18.88 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.611 170.481 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -94.37 114.59 26.66 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.454 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -55.5 -34.07 64.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.598 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.07 -43.7 94.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.133 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.25 -45.91 78.94 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.106 0.479 . . . . 0.0 111.027 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.14 -44.12 98.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.306 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.4 m -63.9 -34.92 79.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.835 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.27 99.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.987 0.422 . . . . 0.0 110.701 177.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.72 -37.34 82.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.661 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.0 mt -74.18 -18.48 60.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.047 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.67 -35.2 39.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.224 0.535 . . . . 0.0 109.959 173.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.89 -28.97 63.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.603 175.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.6 m -108.21 34.89 3.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.417 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -74.42 -30.02 61.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.869 177.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.21 108.44 3.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.865 175.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -62.69 130.51 45.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.82 -177.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.17 10.97 63.59 Favored Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.9 t -134.06 28.92 3.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.964 0.412 . . . . 0.0 110.263 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -69.89 125.03 25.53 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.523 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.504 ' OD1' ' HB3' ' A' ' 28' ' ' LYS . 13.6 t70 -107.8 92.95 4.28 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 173.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -47.71 -31.63 4.94 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.901 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.621 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . 7.4 ttpm? -72.53 -51.13 21.22 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.689 -176.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.79 -32.7 45.23 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.755 177.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -65.83 -57.34 8.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.602 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.621 ' CE2' ' HA ' ' A' ' 28' ' ' LYS . 1.3 p90 -64.44 -36.53 84.48 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.377 0.608 . . . . 0.0 111.207 -175.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.428 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 3.3 t -86.31 -20.41 28.41 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.94 -169.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -82.6 -48.83 10.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.867 177.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.402 ' CG2' ' HB2' ' A' ' 36' ' ' LEU . 6.0 m -75.08 -11.71 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.746 -175.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.86 30.46 23.45 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.919 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.461 HD12 ' HG3' ' A' ' 39' ' ' LYS . 11.6 tp -80.21 -23.17 41.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.988 0.423 . . . . 0.0 110.535 -176.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.479 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . . . -68.58 -23.14 64.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.31 -175.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -112.52 30.84 6.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.043 0.449 . . . . 0.0 111.349 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.461 ' HG3' HD12 ' A' ' 36' ' ' LEU . 67.7 mmtt -83.69 146.74 28.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.223 0.535 . . . . 0.0 111.202 -179.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.8 m -83.36 159.82 60.96 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.433 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -44.67 -43.85 14.32 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.451 2.767 . . . . 0.0 114.475 -174.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.91 -43.75 97.95 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 120.796 0.331 . . . . 0.0 111.747 -176.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.526 ' O ' HG23 ' A' ' 47' ' ' VAL . 9.9 t0 -70.24 -46.48 64.37 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 44' ' ' ILE . 11.4 mm -62.19 -28.29 44.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.848 177.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 21.7 tptm -62.77 -47.32 84.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.904 177.049 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.645 ' O ' HG13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -71.31 -23.55 61.97 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.036 -0.666 . . . . 0.0 110.014 177.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.591 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 91.2 t -64.64 -41.21 91.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 121.186 0.517 . . . . 0.0 109.768 171.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.671 ' CG ' HG13 ' A' ' 100' ' ' VAL . 20.9 m-30 -57.63 -32.51 67.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.569 174.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -79.25 -16.3 56.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.312 176.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.645 HG13 ' O ' ' A' ' 46' ' ' LYS . 58.6 mt -72.68 -45.88 56.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.374 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.846 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -66.01 -33.74 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.358 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.409 ' CA ' HG22 ' A' ' 59' ' ' VAL . 42.3 t0 -82.18 56.7 3.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.256 176.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -23.22 67.19 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.83 0.348 . . . . 0.0 111.741 -173.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -85.16 -16.1 41.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.148 0.499 . . . . 0.0 110.658 175.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.93 62.38 2.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.641 176.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 m -120.63 5.05 10.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.423 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 70.64 13.6 7.27 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 114.869 -1.06 . . . . 0.0 110.888 -176.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -132.83 136.25 46.14 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 168.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.846 HG11 ' HB ' ' A' ' 51' ' ' ILE . 58.7 t -120.41 82.73 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.272 -169.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -80.79 175.82 10.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.843 0.354 . . . . 0.0 111.731 -176.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -56.27 -37.63 70.08 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 177.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.5 -34.46 69.1 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.173 177.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.546 ' HB3' ' O ' ' A' ' 51' ' ' ILE . 1.1 mp0 -69.52 -44.14 71.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.865 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.551 ' HG ' ' CD2' ' A' ' 87' ' ' LEU . 4.3 mm? -63.64 -19.58 64.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.454 -177.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.447 ' HB2' HD22 ' A' ' 66' ' ' LEU . 28.4 mmtm -63.62 -51.66 64.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.98 0.419 . . . . 0.0 110.601 174.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.447 HD22 ' HB2' ' A' ' 65' ' ' LYS . 1.3 mm? -101.02 5.14 42.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.513 -177.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.531 ' CD1' HG22 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -51.85 -36.91 49.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.5 173.269 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.748 HD22 ' H ' ' A' ' 68' ' ' LEU . 1.7 mm? -63.11 -46.49 87.1 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.068 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.516 ' HA ' ' O ' ' A' ' 72' ' ' SER . 79.3 mt-30 -71.56 -10.52 59.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.787 -178.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.618 ' ND2' ' HA ' ' A' ' 50' ' ' ILE . 60.1 t30 -90.61 -33.17 15.97 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 177.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.46 -44.24 62.61 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 174.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.516 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 49.0 m -149.78 122.2 8.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.084 175.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.52 -28.66 63.66 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -172.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -101.11 58.05 0.68 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.337 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -121.48 163.43 18.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.925 0.393 . . . . 0.0 111.447 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.458 ' H ' ' HD2' ' A' ' 76' ' ' ARG . 0.5 OUTLIER -87.12 142.39 27.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.723 -178.704 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.55 119.0 27.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.635 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.0 mp -64.56 150.21 47.28 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.405 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.0 p -135.7 129.36 32.57 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 113.855 1.058 . . . . 0.0 113.855 -174.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.5 t70 54.38 -98.2 0.08 Allowed 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 114.361 -1.291 . . . . 0.0 113.24 168.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.412 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -66.04 -37.62 86.32 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.748 0.309 . . . . 0.0 111.813 -168.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -77.2 -38.81 50.71 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.215 -176.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.552 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 3.0 m -64.71 -37.93 89.28 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 120.776 0.322 . . . . 0.0 110.305 174.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -60.06 -58.14 9.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.066 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 81' ' ' ALA . 5.8 p -66.17 -29.43 46.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.072 0.463 . . . . 0.0 110.726 -178.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -70.23 -34.0 72.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.543 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 83' ' ' THR . 77.9 mt -66.83 -48.94 67.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.057 0.456 . . . . 0.0 110.133 174.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -69.16 -17.6 63.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.353 -175.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.16 -27.4 67.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.382 0.611 . . . . 0.0 110.162 174.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.523 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -118.67 -58.78 0.27 Allowed Glycine 0 N--CA 1.441 -1.006 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.574 -178.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 11.4 t70 -64.27 107.31 1.29 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.7 p -85.02 -25.62 27.57 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.147 0.498 . . . . 0.0 110.175 -170.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -83.94 -23.92 30.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.148 -178.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 78.17 43.23 13.8 Favored Glycine 0 C--N 1.331 0.292 0 CA-C-N 115.837 -0.62 . . . . 0.0 113.314 172.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.478 ' OD2' ' HG2' ' A' ' 97' ' ' LYS . 7.4 p-10 -98.05 19.64 13.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.914 0.388 . . . . 0.0 111.723 -175.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.41 29.01 51.09 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 120.642 -0.789 . . . . 0.0 113.47 173.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.573 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 10.8 ptpt -145.34 177.88 8.5 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-O 121.23 0.538 . . . . 0.0 109.793 -178.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.598 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 9.3 mm -113.56 105.29 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 CA-C-N 114.869 -1.06 . . . . 0.0 108.735 166.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.68 138.1 48.41 Favored Glycine 0 N--CA 1.433 -1.558 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 169.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.671 HG13 ' CG ' ' A' ' 48' ' ' PHE . 3.3 t -55.81 -48.21 78.5 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 CA-C-O 120.971 0.415 . . . . 0.0 110.75 -178.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -68.99 -33.54 73.83 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.204 0.526 . . . . 0.0 110.042 176.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.523 ' HB3' ' C ' ' A' ' 90' ' ' GLY . 5.4 mm-40 -59.27 -43.56 92.5 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.551 177.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.598 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . 30.6 t80 -66.3 -45.04 81.76 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.875 -177.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.19 -32.49 60.16 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.858 -0.686 . . . . 0.0 111.694 178.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.77 -32.71 73.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.569 -0.316 . . . . 0.0 111.687 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.5 ptp -81.62 -21.67 38.12 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.666 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.456 HD11 ' CD2' ' A' ' 103' ' ' PHE . 64.1 mt -76.66 -37.65 29.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 122.041 0.924 . . . . 0.0 108.967 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.406 ' HD2' ' C ' ' A' ' 108' ' ' LYS . 0.7 OUTLIER -83.55 -27.55 29.22 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.244 -1.343 . . . . 0.0 109.886 178.854 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.255 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.825 -178.691 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.112 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.6 mt -56.09 -37.74 50.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.503 0.668 . . . . 0.0 109.222 169.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.445 ' HB2' HD13 ' A' ' 12' ' ' ILE . 4.3 pp -125.08 157.58 35.93 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.985 178.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.442 HD22 ' N ' ' A' ' 8' ' ' ASN . 0.9 OUTLIER -101.82 123.77 46.34 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 172.396 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -55.11 -30.06 58.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.134 0.492 . . . . 0.0 110.202 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.43 -33.97 63.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.746 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.471 ' OD1' ' HA ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -80.78 -39.23 27.15 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.252 0.548 . . . . 0.0 110.055 -176.611 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.445 HD13 ' HB2' ' A' ' 7' ' ' LEU . 1.4 mp -60.18 -47.05 93.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.321 172.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.5 m -64.17 -31.9 73.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.24 95.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.793 0.33 . . . . 0.0 111.193 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.18 -38.22 75.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.951 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.709 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 92.4 mt -68.95 -23.09 64.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.8 0.333 . . . . 0.0 110.922 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.22 -30.31 48.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.13 0.491 . . . . 0.0 110.25 174.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.83 -30.96 64.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.166 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.709 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 26.7 p -100.84 21.64 13.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.674 177.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -70.88 -34.54 71.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.165 0.507 . . . . 0.0 110.161 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.97 138.53 38.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.532 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -63.17 130.89 46.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.011 0.434 . . . . 0.0 110.42 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.97 -21.19 38.11 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.028 -176.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.4 t -87.57 15.96 6.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.509 0.671 . . . . 0.0 110.053 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.425 ' HA ' ' HB2' ' A' ' 19' ' ' CYS . 81.1 m-85 -80.02 97.12 6.67 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.391 177.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -105.59 92.65 4.28 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -52.32 -34.93 49.32 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.354 0.597 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.527 ' O ' HG22 ' A' ' 32' ' ' THR . 57.1 tttp -76.49 -48.75 18.5 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.506 -176.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.459 ' HA ' ' CG2' ' A' ' 32' ' ' THR . . . -60.0 -32.25 70.69 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.102 177.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.418 ' O ' HG22 ' A' ' 34' ' ' VAL . 62.1 t80 -55.9 -56.3 22.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.337 174.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.409 ' CD2' ' HA ' ' A' ' 107' ' ' ILE . 26.1 m-85 -63.13 -41.45 99.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.917 -176.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 28' ' ' LYS . 4.8 t -76.45 -21.62 55.67 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.527 -178.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -79.84 -48.58 13.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.653 0.263 . . . . 0.0 110.731 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.471 ' HA ' ' OD1' ' A' ' 11' ' ' ASP . 30.1 m -74.5 -12.32 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-O 120.941 0.4 . . . . 0.0 111.194 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.46 19.65 58.11 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.531 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.477 HD11 HG21 ' A' ' 47' ' ' VAL . 17.5 tp -83.17 6.89 17.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.166 0.507 . . . . 0.0 110.793 -176.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.56 -10.49 31.94 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 170.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.91 23.09 11.24 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 121.435 0.636 . . . . 0.0 111.086 -177.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -74.98 173.44 10.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.489 179.764 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.42 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 19.4 m -103.97 160.12 27.12 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.638 171.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 40' ' ' SER . 1.3 Cg_endo -44.31 -47.8 10.44 Favored 'Trans proline' 0 CA--C 1.535 0.56 0 C-N-CA 123.315 2.677 . . . . 0.0 114.02 -178.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.6 -31.38 72.58 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.726 0.298 . . . . 0.0 111.635 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.671 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 47.1 m-20 -67.85 -42.63 81.1 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 179.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.443 HD13 ' HA ' ' A' ' 44' ' ' ILE . 4.9 mm -70.52 -27.79 32.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.786 177.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 4.2 tppp? -60.89 -45.63 93.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.312 . . . . 0.0 110.727 177.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.671 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -70.89 -26.38 63.2 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.881 178.392 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.56 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 83.3 t -66.79 -35.78 75.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.901 0.381 . . . . 0.0 110.493 173.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.424 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 18.0 m-30 -57.97 -40.62 81.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.231 0.539 . . . . 0.0 110.219 173.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.91 -27.39 67.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.482 174.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.651 HG12 ' O ' ' A' ' 46' ' ' LYS . 22.7 mm -64.27 -50.09 78.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.537 -175.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.876 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -67.32 -34.9 71.92 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.287 -178.894 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.51 ' HA ' ' HG2' ' A' ' 63' ' ' GLU . 14.0 t0 -82.92 78.78 9.46 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.9 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.58 ' H ' ' HG3' ' A' ' 63' ' ' GLU . 5.5 tp60 -46.39 -46.59 18.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.289 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.37 -12.57 27.66 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.593 -175.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.412 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 81.5 tttt 59.92 63.76 1.4 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 122.308 1.051 . . . . 0.0 111.178 -178.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.6 t -105.92 20.21 19.3 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.607 -1.179 . . . . 0.0 109.61 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.9 p30 52.13 17.81 0.75 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.712 1.205 . . . . 0.0 111.856 -175.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -150.05 115.36 5.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.427 176.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.876 HG11 ' HB ' ' A' ' 51' ' ' ILE . 50.3 t -93.75 98.4 8.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.372 -172.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.556 ' O ' ' HB2' ' A' ' 63' ' ' GLU . 78.9 mm-40 -84.31 -173.42 4.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.395 -178.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.403 ' HG3' HD11 ' A' ' 87' ' ' LEU . 37.1 tt0 -72.17 -36.07 69.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.149 -0.344 . . . . 0.0 110.677 179.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.87 -23.16 67.18 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.114 0.483 . . . . 0.0 109.889 176.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.58 ' HG3' ' H ' ' A' ' 53' ' ' GLN . 0.5 OUTLIER -64.06 -58.82 5.53 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.854 172.178 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.511 ' HG ' ' CD2' ' A' ' 87' ' ' LEU . 4.5 mm? -61.62 -19.42 62.23 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.979 -174.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.608 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -65.05 -57.16 9.37 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.084 0.469 . . . . 0.0 110.739 176.861 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 68.3 mt -103.21 4.71 37.05 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -176.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.52 ' HD2' HG22 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -61.6 -26.85 68.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.959 0.885 . . . . 0.0 108.718 177.828 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 65' ' ' LYS . 1.2 mt -65.84 -37.4 86.12 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.629 -1.169 . . . . 0.0 110.325 178.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.505 ' HA ' ' O ' ' A' ' 72' ' ' SER . 83.4 mm-40 -74.67 -14.94 60.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.897 177.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.522 ' HB2' ' OE1' ' A' ' 53' ' ' GLN . 63.9 t30 -85.95 -19.48 30.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.292 174.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -96.83 -33.4 11.67 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.639 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.505 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 13.2 p -163.72 151.65 13.0 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.287 -179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.27 -14.79 39.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.703 0.287 . . . . 0.0 111.73 -176.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -105.1 19.08 41.39 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.42 168.12 19.36 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.015 0.436 . . . . 0.0 111.3 -178.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.507 ' O ' HD13 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -115.51 130.31 56.83 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -178.85 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.477 ' HA ' ' CD1' ' A' ' 68' ' ' LEU . . . -72.74 128.09 34.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.148 0.499 . . . . 0.0 111.595 -178.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.41 HD13 HD11 ' A' ' 68' ' ' LEU . 9.4 mp -79.28 149.44 31.82 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.937 177.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 80' ' ' ASP . 8.2 p -177.56 75.68 0.02 OUTLIER 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.341 0.591 . . . . 0.0 111.874 176.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.46 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 18.2 t70 176.69 -145.98 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.447 ' H ' ' CG ' ' A' ' 80' ' ' ASP . . . -66.28 -16.43 64.02 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -177.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -33.02 24.18 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 120.205 -0.598 . . . . 0.0 109.714 -170.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.62 -37.68 85.38 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 171.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.502 ' HE2' ' HA ' ' A' ' 84' ' ' LYS . 11.8 mmpt? -59.05 -59.24 5.79 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.937 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 81' ' ' ALA . 48.9 t -64.9 -39.61 86.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.333 -176.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -68.35 -34.7 76.57 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.625 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.569 HD23 HG12 ' A' ' 98' ' ' ILE . 58.2 mt -67.8 -50.78 55.03 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.802 0.334 . . . . 0.0 110.305 174.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -66.35 -17.09 64.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.795 -176.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.37 -31.89 71.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.122 0.487 . . . . 0.0 109.9 172.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.545 ' O ' ' HB3' ' A' ' 102' ' ' GLU . . . -102.6 -49.04 1.22 Allowed Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.379 177.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.662 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 14.1 t0 -59.46 97.74 0.04 OUTLIER 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.022 0.439 . . . . 0.0 110.373 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.8 m -98.94 -8.89 24.84 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.25 0.548 . . . . 0.0 109.594 178.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -87.84 -19.87 26.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.839 -175.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.25 33.04 29.86 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 -173.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.711 ' OD1' ' HG2' ' A' ' 97' ' ' LYS . 3.2 p30 -95.7 -15.74 22.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.493 -0.354 . . . . 0.0 111.653 -175.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.83 27.78 52.65 Favored Glycine 0 N--CA 1.454 -0.155 0 C-N-CA 121.121 -0.562 . . . . 0.0 112.941 175.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.711 ' HG2' ' OD1' ' A' ' 95' ' ' ASP . 10.9 ptpt -148.38 178.13 8.85 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -178.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.659 ' O ' ' HB ' ' A' ' 59' ' ' VAL . 16.0 mm -103.32 108.02 23.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.019 0.437 . . . . 0.0 110.717 176.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -66.65 137.53 34.63 Favored Glycine 0 N--CA 1.436 -1.354 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 166.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 42.4 t -57.03 -48.76 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 116.997 0.398 . . . . 0.0 110.825 -176.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -69.36 -31.81 70.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.943 0.401 . . . . 0.0 110.438 176.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.545 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 35.4 mt-10 -63.5 -37.04 85.76 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.704 177.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.53 ' O ' HG13 ' A' ' 107' ' ' ILE . 41.0 t80 -65.05 -48.52 73.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.248 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -54.09 -39.49 63.7 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.952 177.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.08 -37.97 89.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.703 -0.248 . . . . 0.0 111.375 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.0 ptp -70.54 -24.93 62.89 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.556 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 103' ' ' PHE . 59.9 mt -75.39 -34.1 29.35 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 CA-C-O 121.935 0.874 . . . . 0.0 109.521 -179.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -90.25 -8.72 50.29 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.363 -1.29 . . . . 0.0 111.144 -178.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.833 0 CA-C-O 118.488 -0.767 . . . . 0.0 110.971 179.555 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 111.91 -0.476 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.9 mt -53.66 -51.92 38.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 173.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.523 HD13 ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -120.0 137.41 54.1 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.341 173.695 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.463 ' HB2' ' HB2' ' A' ' 11' ' ' ASP . 12.6 m-80 -94.4 114.49 26.54 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 175.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -51.67 -39.48 58.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.81 -178.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.93 -35.4 74.52 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.369 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.463 ' HB2' ' HB2' ' A' ' 8' ' ' ASN . 1.6 t0 -72.4 -48.72 39.26 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.349 0.595 . . . . 0.0 109.829 -177.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -55.23 -53.94 29.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.4 176.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 92.7 m -54.38 -34.85 62.05 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.741 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.4 ' HB3' ' HZ2' ' A' ' 33' ' ' LYS . . . -64.99 -45.88 83.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.185 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.527 ' HB2' ' CD ' ' A' ' 33' ' ' LYS . . . -60.33 -41.64 93.95 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.825 174.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.474 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 4.0 mm? -56.82 -45.16 82.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 177.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.58 -25.68 66.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.046 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.66 -43.64 22.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.861 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.474 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 22.7 p -78.75 -8.33 58.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.418 ' O ' ' HD2' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -65.25 -38.32 89.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.543 178.38 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.3 114.54 3.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.034 -178.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -60.65 130.14 45.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.506 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.03 -13.06 64.21 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.283 -177.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.1 t -126.8 49.37 2.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.642 0.734 . . . . 0.0 109.867 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.431 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 8.5 p90 -104.84 129.36 53.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.562 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.46 88.63 2.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.579 0.704 . . . . 0.0 110.719 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.616 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 3.6 t60 -68.35 -29.57 68.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.722 -177.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.433 ' O ' HG22 ' A' ' 32' ' ' THR . 65.4 tttp -65.61 -41.59 92.58 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 175.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.483 ' HA ' ' CG2' ' A' ' 32' ' ' THR . . . -62.37 -31.34 71.98 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.991 177.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.616 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 61.4 t80 -55.92 -50.25 71.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.618 174.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -63.58 -45.94 88.11 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.165 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.483 ' CG2' ' HA ' ' A' ' 29' ' ' ALA . 2.8 t -75.99 -22.73 55.53 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -174.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.527 ' CD ' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -81.48 -35.97 29.87 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 122.284 -0.26 . . . . 0.0 110.727 -179.028 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.5 m -86.61 -12.39 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-O 121.229 0.538 . . . . 0.0 110.52 177.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.08 30.15 43.45 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.379 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.478 HD11 HG21 ' A' ' 47' ' ' VAL . 9.7 tp -76.33 -29.12 57.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 111.147 -176.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.14 -17.0 62.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.891 0.377 . . . . 0.0 111.005 -177.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -108.76 26.24 10.79 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.532 ' HD2' ' OD2' ' A' ' 43' ' ' ASP . 38.2 mmtm -89.52 161.72 16.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.114 0.483 . . . . 0.0 111.251 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.0 m -79.53 150.33 73.1 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.045 -178.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -47.55 -55.05 4.3 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.117 2.544 . . . . 0.0 113.935 -176.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.463 ' O ' ' HB3' ' A' ' 45' ' ' LYS . . . -63.54 -30.59 71.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 0.0 111.381 -177.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.595 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 33.2 t70 -73.5 -46.56 47.16 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.97 0.414 . . . . 0.0 110.328 178.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.45 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 0.1 OUTLIER -63.08 -21.82 29.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.13 0.491 . . . . 0.0 110.209 174.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 3.7 tppp? -67.67 -43.88 79.15 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.15 175.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.717 ' O ' HG13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -69.59 -24.73 63.72 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.48 176.527 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.589 ' HA ' HD12 ' A' ' 50' ' ' ILE . 98.4 t -63.78 -39.7 86.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 171.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.855 ' HA ' HD11 ' A' ' 51' ' ' ILE . 18.7 m-30 -61.03 -29.39 69.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.512 177.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.679 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 7.2 pt-20 -84.5 -15.38 46.13 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.003 176.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.717 HG13 ' O ' ' A' ' 46' ' ' LYS . 46.9 mt -71.02 -40.12 75.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.305 177.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.855 HD11 ' HA ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -63.46 -26.89 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 120.091 -0.643 . . . . 0.0 109.542 177.175 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.526 ' HB2' HG22 ' A' ' 59' ' ' VAL . 32.9 t0 -86.09 72.45 10.42 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 175.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.424 ' OE1' ' HB3' ' A' ' 66' ' ' LEU . 6.0 tt0 -53.13 -38.3 62.56 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.592 0.711 . . . . 0.0 110.981 -177.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -77.09 -19.09 57.49 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.774 -178.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt 56.46 63.08 2.08 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.581 0.705 . . . . 0.0 111.282 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.455 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -123.79 5.53 8.78 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.804 -177.398 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.455 ' HB2' ' O ' ' A' ' 56' ' ' SER . 4.3 m-20 76.79 7.64 3.17 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 124.019 0.824 . . . . 0.0 110.619 -178.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -134.91 121.83 21.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.296 176.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.832 HG11 ' HB ' ' A' ' 51' ' ' ILE . 84.8 t -103.19 111.4 32.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.306 -176.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -93.55 -175.5 3.8 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -77.99 -50.17 12.64 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 122.549 0.34 . . . . 0.0 110.871 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -65.32 -21.48 66.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.087 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.71 -37.48 82.31 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.242 171.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.633 ' HA ' ' HB3' ' A' ' 67' ' ' PHE . 0.2 OUTLIER -72.3 -20.26 61.53 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.596 -179.793 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.421 ' O ' HD23 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -64.23 -47.86 78.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.943 0.401 . . . . 0.0 110.547 175.046 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.424 ' HB3' ' OE1' ' A' ' 53' ' ' GLN . 1.9 mp -101.48 4.69 41.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.226 0.536 . . . . 0.0 111.441 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.633 ' HB3' ' HA ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -53.34 -32.6 49.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.46 172.788 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.706 HD22 ' H ' ' A' ' 68' ' ' LEU . 1.9 mm? -66.12 -42.3 89.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.036 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -66.99 -20.33 65.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.032 0.444 . . . . 0.0 110.115 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -83.53 -28.7 28.46 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -78.51 -53.91 6.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.572 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.9 m -152.41 137.89 17.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.701 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.64 -25.95 67.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.813 -174.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -96.51 12.62 66.22 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.814 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.79 137.42 33.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.926 0.393 . . . . 0.0 110.707 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.568 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 30.5 mmt180 -75.97 138.01 40.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.225 -178.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.467 ' HA ' HD23 ' A' ' 68' ' ' LEU . . . -68.06 117.32 9.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.001 0.429 . . . . 0.0 110.263 177.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.521 ' HB3' ' HG3' ' A' ' 82' ' ' GLU . 75.5 mt -68.73 113.65 6.39 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.936 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.6 m -125.18 167.19 15.17 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.736 -171.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 63.73 -131.09 0.41 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.278 -0.873 . . . . 0.0 111.541 174.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.65 -26.03 64.21 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.216 -172.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.695 ' O ' ' HB2' ' A' ' 86' ' ' PHE . 11.3 tp10 -57.17 -50.39 72.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 177.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.905 ' O ' ' HB3' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -70.48 -51.22 30.58 Favored 'General case' 0 C--O 1.206 -1.223 0 C-N-CA 119.41 -0.916 . . . . 0.0 110.463 177.602 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -50.85 -53.89 28.49 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.321 -0.862 . . . . 0.0 111.45 -176.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.0 t -76.79 -49.02 24.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 120.921 0.391 . . . . 0.0 111.89 -175.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.695 ' HB2' ' O ' ' A' ' 82' ' ' GLU . 24.1 m-85 -87.14 -19.24 28.77 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -169.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.905 ' HB3' ' O ' ' A' ' 83' ' ' THR . 0.0 OUTLIER -80.7 -28.61 36.64 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 170.154 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -78.36 -16.17 57.95 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.5 171.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.6 -37.05 62.62 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.236 0.541 . . . . 0.0 110.544 176.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.639 ' O ' ' HB3' ' A' ' 102' ' ' GLU . . . -87.12 -50.87 3.52 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.233 176.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.484 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 31.4 t0 -60.32 98.74 0.06 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.393 0.616 . . . . 0.0 110.347 -178.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.5 m -92.23 -27.18 17.8 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.023 -171.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -86.94 -7.1 58.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.614 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 64.88 44.18 95.0 Favored Glycine 0 C--N 1.332 0.33 0 CA-C-N 115.218 -0.901 . . . . 0.0 113.119 173.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -96.55 -17.44 20.46 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 121.218 -0.193 . . . . 0.0 111.135 -175.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.02 30.01 5.58 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.16 -1.019 . . . . 0.0 112.961 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 15.7 ptmt -144.29 172.51 12.83 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.661 ' O ' ' HB ' ' A' ' 59' ' ' VAL . 1.8 mm -106.18 104.02 16.35 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 165.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.413 ' HA3' ' HG3' ' A' ' 102' ' ' GLU . . . -64.39 137.32 40.0 Favored Glycine 0 N--CA 1.427 -1.925 0 N-CA-C 108.739 -1.745 . . . . 0.0 108.739 168.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.613 HG13 ' CG ' ' A' ' 48' ' ' PHE . 3.2 t -55.93 -43.0 73.38 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 CA-C-O 121.348 0.594 . . . . 0.0 110.47 -179.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -69.32 -36.94 77.46 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.342 175.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.639 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 21.6 mt-10 -62.74 -37.32 86.12 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.578 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.502 ' HB2' HG23 ' A' ' 98' ' ' ILE . 47.1 t80 -66.07 -46.39 77.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.803 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.35 -37.76 66.71 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.026 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.66 91.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.589 -0.306 . . . . 0.0 111.429 178.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.9 ptp -72.28 -26.08 61.84 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.656 -177.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.474 HD11 ' CE2' ' A' ' 103' ' ' PHE . 54.9 mt -74.28 -35.18 39.33 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 CA-C-O 121.906 0.86 . . . . 0.0 109.263 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -94.02 -9.33 37.17 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.339 -1.301 . . . . 0.0 111.214 -174.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.632 -0.699 . . . . 0.0 111.026 -179.056 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 N-CA-C 112.18 -0.368 . . . . 0.0 112.18 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.463 ' O ' ' HE3' ' A' ' 39' ' ' LYS . 40.2 mm -65.23 -40.1 87.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 174.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.51 ' O ' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -138.07 144.34 40.89 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.842 178.453 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -86.34 106.61 17.51 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -48.9 -38.73 23.51 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.786 -176.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.0 88.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.688 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.32 -38.58 78.3 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 120.728 0.299 . . . . 0.0 111.321 -177.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.448 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.8 mp -59.55 -51.88 67.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 174.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.8 m -54.74 -36.48 64.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.256 176.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.71 -32.6 72.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.884 0.373 . . . . 0.0 111.192 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.12 -42.38 69.31 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 174.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 12' ' ' ILE . 4.5 mm? -59.09 -35.2 72.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.446 174.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.69 -33.68 75.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.358 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.35 -18.39 60.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.959 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 24' ' ' SER . 26.3 p -121.71 30.57 6.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.218 0.532 . . . . 0.0 110.444 177.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -77.79 -31.48 51.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.102 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.03 125.95 33.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.479 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.08 130.14 44.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.037 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.97 3.86 87.49 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.396 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.474 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 41.1 t -125.2 68.24 1.13 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.185 0.517 . . . . 0.0 109.866 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -125.11 144.33 50.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.074 -177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.405 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 9.5 t70 -137.08 98.45 3.75 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 173.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.451 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 2.1 p80 -57.25 -32.36 66.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.695 -176.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.482 ' O ' HG22 ' A' ' 32' ' ' THR . 69.7 tttt -79.03 -43.09 24.96 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.193 -174.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.559 ' O ' ' HB2' ' A' ' 33' ' ' LYS . . . -56.69 -36.79 70.04 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.689 174.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.451 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 74.1 t80 -55.01 -55.11 34.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.631 175.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.414 ' CD2' ' HA ' ' A' ' 107' ' ' ILE . 16.7 m-85 -66.6 -43.74 84.01 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.648 -176.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 28' ' ' LYS . 9.8 t -73.07 -23.96 60.62 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.507 -176.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.559 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 75.3 tttt -74.79 -46.06 39.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.872 0.368 . . . . 0.0 110.23 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.5 m -84.13 -9.84 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.695 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.16 35.08 31.26 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.329 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.463 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -82.03 -32.76 30.33 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.646 -0.326 . . . . 0.0 111.193 -177.577 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.28 -17.77 64.95 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.266 0.555 . . . . 0.0 110.234 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.38 1.64 41.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.519 178.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 38.0 mmtm -70.17 144.02 52.1 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.218 0.532 . . . . 0.0 111.184 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.5 m -79.26 161.63 67.07 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.454 -177.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -44.09 -46.45 11.18 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.165 2.577 . . . . 0.0 113.662 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.01 -44.54 96.51 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.003 0.43 . . . . 0.0 111.37 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.618 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 18.8 m-20 -64.53 -45.7 86.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.277 0.561 . . . . 0.0 109.712 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.432 HG23 ' CE1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -62.84 -32.83 57.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.214 179.405 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 2.9 tppp? -64.86 -44.78 88.63 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 120.677 0.275 . . . . 0.0 111.243 -178.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.649 ' O ' HG13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -67.76 -27.99 67.24 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.133 -0.627 . . . . 0.0 109.559 178.238 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 43' ' ' ASP . 93.2 t -65.67 -40.43 87.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.264 175.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.613 ' HA ' HD11 ' A' ' 51' ' ' ILE . 12.8 m-30 -55.29 -34.28 63.98 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.401 174.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -81.78 -15.94 52.62 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.081 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.649 HG13 ' O ' ' A' ' 46' ' ' LYS . 60.1 mt -73.41 -40.32 56.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 O-C-N 122.004 -0.435 . . . . 0.0 111.595 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.613 HD11 ' HA ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -66.34 -19.18 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-O 121.641 0.734 . . . . 0.0 109.047 175.687 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.557 ' HB2' HG12 ' A' ' 59' ' ' VAL . 30.7 t0 -100.27 61.47 1.07 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.837 -1.074 . . . . 0.0 108.994 174.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.469 ' HA ' ' ND2' ' A' ' 70' ' ' ASN . 2.0 pt20 -53.64 -35.32 60.86 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.134 0.492 . . . . 0.0 111.392 -174.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.73 ' HB3' ' OE2' ' A' ' 63' ' ' GLU . 6.0 t70 -76.47 -18.97 58.5 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.849 -178.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.3 tptm 64.76 64.8 0.65 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 122.099 0.952 . . . . 0.0 111.493 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.459 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -117.75 1.16 12.14 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.108 -175.71 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 56' ' ' SER . 4.1 m-20 74.41 -1.41 3.08 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.754 0.822 . . . . 0.0 110.764 -176.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -139.3 129.08 24.74 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.728 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 0.7 OUTLIER -99.8 122.72 51.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.447 0.641 . . . . 0.0 110.316 -177.59 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -94.75 179.54 5.21 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.853 176.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -69.84 -40.92 75.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.789 0.328 . . . . 0.0 110.703 178.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -60.56 -30.64 69.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.326 178.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.73 ' OE2' ' HB3' ' A' ' 54' ' ' ASP . 49.4 mt-10 -73.82 -34.8 64.72 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.684 176.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.644 ' HG ' HD21 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -69.04 -27.1 65.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.995 0.426 . . . . 0.0 110.804 177.03 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.449 ' HB3' HD22 ' A' ' 66' ' ' LEU . 11.4 mptt -62.86 -52.87 61.43 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.776 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.485 HD12 ' NE2' ' A' ' 69' ' ' GLN . 1.3 mm? -100.32 6.7 44.62 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 -178.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.46 ' CD1' HG22 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -49.44 -36.36 22.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.491 0.662 . . . . 0.0 109.3 170.331 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.671 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.3 mm? -62.67 -45.65 91.83 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.295 178.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.485 ' NE2' HD12 ' A' ' 66' ' ' LEU . 79.4 mt-30 -72.27 -8.37 54.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.762 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.469 ' ND2' ' HA ' ' A' ' 53' ' ' GLN . 64.5 t30 -95.66 -23.54 16.97 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -80.84 -48.19 12.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.137 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.5 m -150.3 144.05 25.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.717 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.64 -21.58 63.54 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -168.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -105.55 2.24 39.52 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.25 -0.976 . . . . 0.0 112.591 -177.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.09 142.89 56.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.03 0.443 . . . . 0.0 111.385 -176.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.538 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 21.7 mmt180 -82.31 147.74 28.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.259 -176.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.66 127.82 34.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.886 0.374 . . . . 0.0 110.94 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.4 mp -77.11 141.23 40.3 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.349 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.615 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 53.5 m -143.21 167.98 20.84 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.718 -0.219 . . . . 0.0 110.476 176.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 59.93 -130.85 0.97 Allowed 'General case' 0 C--O 1.236 0.342 0 O-C-N 123.432 0.458 . . . . 0.0 111.407 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.23 -33.15 73.86 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.191 -170.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.615 ' HG2' ' O ' ' A' ' 79' ' ' SER . 1.9 pm0 -67.4 -25.41 65.93 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.161 -175.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.597 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 1.5 m -78.48 -45.85 21.1 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.06 -0.656 . . . . 0.0 109.56 174.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -64.19 -46.18 85.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.348 -175.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.8 t -70.65 -37.81 70.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.81 0.338 . . . . 0.0 110.344 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -63.72 -36.55 84.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.473 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.706 ' HA ' HD11 ' A' ' 98' ' ' ILE . 97.7 mt -64.38 -51.19 64.5 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 174.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -62.23 -17.15 57.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.411 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.4 -31.51 72.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.773 0.321 . . . . 0.0 110.744 177.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -121.72 -43.36 0.42 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.495 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.525 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 24.6 t0 -66.79 112.94 4.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.951 0.405 . . . . 0.0 110.405 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.4 t -98.14 -7.7 29.01 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.06 -175.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.76 -21.23 18.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.579 -174.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 78.83 36.19 29.43 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.385 -177.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -79.2 -20.4 48.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.087 0.47 . . . . 0.0 110.166 -176.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.51 28.94 41.59 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 -171.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.728 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 6.8 ptmt -143.15 174.5 10.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.753 -0.723 . . . . 0.0 109.494 -171.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.706 HD11 ' HA ' ' A' ' 87' ' ' LEU . 25.0 mm -115.14 105.31 18.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 167.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.55 137.21 50.41 Favored Glycine 0 N--CA 1.436 -1.358 0 N-CA-C 108.403 -1.879 . . . . 0.0 108.403 167.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.5 m -55.08 -46.71 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.113 0 CA-C-N 117.774 0.787 . . . . 0.0 111.57 -173.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -78.8 -17.56 55.54 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.275 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.413 ' CD ' ' HA ' ' A' ' 91' ' ' ASP . 25.9 mt-10 -68.83 -36.25 77.96 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 172.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.661 ' CE2' HD11 ' A' ' 107' ' ' ILE . 23.6 t80 -64.69 -48.58 74.18 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.086 178.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.63 -36.62 65.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.106 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.79 -36.95 83.58 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.529 0.196 . . . . 0.0 111.529 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.413 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 5.4 ptp -74.28 -24.56 59.27 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.705 -178.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.661 HD11 ' CE2' ' A' ' 103' ' ' PHE . 64.7 mt -78.81 -31.84 15.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.639 0.733 . . . . 0.0 109.794 -178.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.85 -12.61 41.38 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.728 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.735 -0.65 . . . . 0.0 111.413 -178.784 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.436 0 N-CA-C 112.399 -0.281 . . . . 0.0 112.399 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.0 mt -67.87 -34.78 69.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.456 HD13 ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -138.97 157.93 45.12 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.347 175.592 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -100.96 137.58 39.15 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -53.82 -38.35 64.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.438 0.637 . . . . 0.0 109.527 174.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.07 -46.15 65.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.19 -177.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.431 ' OD1' ' HA ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -72.76 -41.41 65.12 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.06 0.457 . . . . 0.0 110.757 -174.282 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.463 HD12 HG22 ' A' ' 34' ' ' VAL . 1.4 tp -60.94 -39.26 81.48 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.995 177.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.3 m -75.9 -33.84 59.93 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.919 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.17 -51.64 68.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.877 0.37 . . . . 0.0 110.981 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.444 ' HB2' ' HG3' ' A' ' 33' ' ' LYS . . . -63.71 -44.29 94.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.813 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.682 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 88.8 mt -67.58 -19.02 65.2 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.489 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.66 -34.08 40.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.582 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.76 -34.55 58.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.461 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.682 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 29.4 p -94.09 26.37 3.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -78.93 -12.21 60.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.232 0.539 . . . . 0.0 109.684 177.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.429 ' HB3' ' HB2' ' A' ' 24' ' ' SER . . . -77.26 124.52 27.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.152 176.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -57.82 113.23 1.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.605 -175.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.78 0.22 66.74 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.049 -0.595 . . . . 0.0 112.562 176.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.429 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 33.1 m -113.36 79.61 1.26 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.1 0.476 . . . . 0.0 110.668 -179.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -115.35 110.23 19.07 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.89 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.4 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 5.6 p-10 -83.15 80.74 8.96 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.073 0.464 . . . . 0.0 109.998 178.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.465 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 36.1 p-80 -53.34 -46.58 69.56 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.948 -173.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.402 ' O ' HG22 ' A' ' 32' ' ' THR . 84.2 tttt -73.37 -48.93 30.13 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.817 -173.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.511 ' HA ' ' CG2' ' A' ' 32' ' ' THR . . . -61.64 -31.0 71.07 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.043 176.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.698 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 80.4 t80 -54.7 -53.38 55.72 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.315 0.384 . . . . 0.0 110.74 177.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.425 ' CD2' ' HA ' ' A' ' 107' ' ' ILE . 56.1 m-85 -67.22 -34.53 77.68 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -176.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.511 ' CG2' ' HA ' ' A' ' 29' ' ' ALA . 4.9 t -81.76 -24.61 35.94 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.69 -178.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.556 ' HG2' ' O ' ' A' ' 30' ' ' PHE . 12.9 ptmt -85.74 -21.67 28.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.41 0.624 . . . . 0.0 109.779 176.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.698 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -90.75 -16.95 8.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.373 -179.755 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.26 8.51 64.38 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.902 -0.666 . . . . 0.0 113.09 176.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.435 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 16.1 tp -87.1 6.99 29.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.213 0.53 . . . . 0.0 110.577 -177.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.35 -14.42 26.9 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 172.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -124.42 31.93 5.62 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.635 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.495 ' HE2' HD12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -83.97 179.54 7.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.754 178.79 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 m -101.03 153.39 37.76 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 171.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -45.55 -46.28 14.9 Favored 'Trans proline' 0 C--O 1.237 0.46 0 C-N-CA 123.211 2.607 . . . . 0.0 114.014 -175.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.94 -32.97 74.69 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.591 ' O ' HG23 ' A' ' 47' ' ' VAL . 24.6 m-20 -63.31 -48.14 79.3 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.123 0.487 . . . . 0.0 109.729 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.495 HD12 ' HE2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -63.64 -27.98 44.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.493 179.441 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 20.8 tptm -64.22 -46.45 83.83 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.939 0.399 . . . . 0.0 110.595 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.69 ' O ' HG13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -72.12 -24.1 61.42 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.401 179.533 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.615 ' HA ' HD12 ' A' ' 50' ' ' ILE . 59.8 t -67.35 -35.97 75.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 173.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.68 ' HA ' HD11 ' A' ' 51' ' ' ILE . 17.5 m-30 -58.21 -38.67 77.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.751 174.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.587 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 4.8 pt-20 -77.29 -14.04 59.82 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.662 178.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.69 HG13 ' O ' ' A' ' 46' ' ' LYS . 60.0 mt -71.7 -46.01 63.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 119.132 -0.461 . . . . 0.0 112.23 177.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.68 HD11 ' HA ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -61.51 -20.61 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-O 121.458 0.647 . . . . 0.0 109.662 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.442 ' HB2' HG12 ' A' ' 59' ' ' VAL . 15.7 t0 -104.16 76.8 1.37 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.083 -0.962 . . . . 0.0 108.695 173.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.541 ' OE1' ' HB2' ' A' ' 66' ' ' LEU . 18.6 pt20 -56.4 -37.13 69.72 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.35 0.595 . . . . 0.0 110.489 -176.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.748 ' HB3' ' OE2' ' A' ' 63' ' ' GLU . 6.0 t70 -79.03 -19.81 50.53 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.107 176.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt 56.97 63.43 1.93 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 122.41 1.1 . . . . 0.0 110.901 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -92.22 2.66 56.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 113.977 -1.465 . . . . 0.0 110.098 179.391 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.493 ' HB2' ' O ' ' A' ' 56' ' ' SER . 9.1 m-20 75.04 3.64 4.16 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.761 -171.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -148.33 129.78 14.84 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.259 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.679 ' CG2' ' H ' ' A' ' 98' ' ' ILE . 0.9 OUTLIER -88.94 126.91 41.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.72 0.771 . . . . 0.0 110.114 -175.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -93.3 161.64 14.32 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.141 176.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -69.04 -40.31 78.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 118.465 0.575 . . . . 0.0 110.668 -176.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -65.36 -27.09 68.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.042 0.449 . . . . 0.0 110.05 178.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.748 ' OE2' ' HB3' ' A' ' 54' ' ' ASP . 96.5 mt-10 -72.15 -45.02 62.14 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.136 174.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.584 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 0.3 OUTLIER -67.62 -18.95 65.16 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.288 0.566 . . . . 0.0 110.591 -178.791 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.544 ' O ' HD12 ' A' ' 68' ' ' LEU . 10.3 mptt -63.56 -53.63 48.73 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.198 0.523 . . . . 0.0 110.213 173.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.565 HD22 HE21 ' A' ' 69' ' ' GLN . 36.2 mt -100.82 5.82 43.59 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.838 -174.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.606 ' HD2' HG22 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -58.92 -26.37 64.28 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 176.336 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 65' ' ' LYS . 2.7 mt -63.14 -45.0 94.0 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.385 178.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.565 HE21 HD22 ' A' ' 66' ' ' LEU . 40.1 mt-30 -72.79 -14.69 61.58 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.451 ' HB3' ' O ' ' A' ' 67' ' ' PHE . 49.8 t30 -80.32 -25.95 39.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.067 176.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.483 ' HB2' HG21 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -89.59 -47.46 7.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.452 176.578 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.559 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 71.1 m -147.23 128.39 14.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.024 178.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.42 -22.56 66.23 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -173.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -97.3 48.8 1.53 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.575 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -122.1 150.88 41.54 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.693 -0.298 . . . . 0.0 111.225 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.45 ' O ' HD13 ' A' ' 68' ' ' LEU . 1.4 mpt_? -96.27 136.41 36.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.223 178.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.493 ' HA ' ' CD1' ' A' ' 68' ' ' LEU . . . -78.79 125.12 28.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.86 0.362 . . . . 0.0 111.211 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.414 HD22 ' H ' ' A' ' 78' ' ' LEU . 1.6 mm? -76.42 150.13 36.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.721 177.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.6 m -144.3 145.79 32.22 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.955 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 72.12 -126.84 0.05 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.632 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.2 -30.72 71.27 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -168.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -71.67 -40.24 69.74 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.092 -177.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.7 m -73.62 -37.23 65.45 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 174.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -55.99 -59.32 5.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.069 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.16 -39.98 85.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.172 -177.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -65.77 -37.97 87.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.486 HD23 HG12 ' A' ' 98' ' ' ILE . 77.3 mt -64.22 -48.0 77.52 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 174.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -65.49 -16.84 64.06 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -176.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.3 -34.66 72.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.37 0.605 . . . . 0.0 109.989 173.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.495 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -106.52 -53.82 0.71 Allowed Glycine 0 N--CA 1.443 -0.896 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.168 176.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.678 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 20.9 t0 -59.92 101.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 122.889 0.476 . . . . 0.0 110.474 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 17.4 t -97.02 -24.02 15.99 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.165 0.507 . . . . 0.0 110.496 -175.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -86.85 -9.36 55.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.026 -175.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.64 53.03 4.18 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 121.125 -0.56 . . . . 0.0 114.172 171.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.488 ' OD1' ' HG2' ' A' ' 97' ' ' LYS . 3.5 p30 -108.88 -22.31 12.25 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.92 0.36 . . . . 0.0 111.739 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.15 25.66 21.15 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.674 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.678 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 11.1 ptmt -136.86 174.95 10.07 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 177.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.679 ' H ' ' CG2' ' A' ' 59' ' ' VAL . 11.8 mm -109.0 108.38 25.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 C-N-CA 120.085 -0.646 . . . . 0.0 109.949 172.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -59.5 137.29 50.03 Favored Glycine 0 N--CA 1.431 -1.667 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 167.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.574 HG13 ' CG ' ' A' ' 48' ' ' PHE . 15.2 t -56.84 -38.92 61.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 CA-C-O 121.381 0.61 . . . . 0.0 110.675 -177.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -73.13 -33.32 65.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.225 175.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.495 ' HB3' ' C ' ' A' ' 90' ' ' GLY . 6.2 mm-40 -59.78 -40.9 89.81 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.081 175.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.606 ' CE2' HD11 ' A' ' 107' ' ' ILE . 22.5 t80 -64.51 -52.33 58.37 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.94 -177.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -53.8 -37.97 58.52 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.169 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.38 -33.87 71.92 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.9 ptp -74.04 -26.08 60.21 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.723 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.606 HD11 ' CE2' ' A' ' 103' ' ' PHE . 78.4 mt -74.56 -43.24 48.54 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.584 0 CA-C-O 122.038 0.923 . . . . 0.0 109.228 -177.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.442 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 0.3 OUTLIER -81.41 -27.28 34.83 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.04 -1.436 . . . . 0.0 109.986 179.642 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.148 -0.93 . . . . 0.0 111.279 179.513 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.331 0 CA-C-O 120.401 -0.111 . . . . 0.0 113.169 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.2 mm -65.02 -31.28 53.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.689 0.757 . . . . 0.0 109.388 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.446 ' O ' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -144.49 145.29 31.79 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.14 175.766 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.409 ' HB2' ' HB2' ' A' ' 11' ' ' ASP . 12.5 m120 -93.36 110.18 21.73 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -52.37 -37.09 55.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.035 -176.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.13 96.57 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.631 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.409 ' HB2' ' HB2' ' A' ' 8' ' ' ASN . 1.4 t0 -69.88 -45.37 67.79 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.35 0.595 . . . . 0.0 109.894 -177.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.453 HG12 ' CD1' ' A' ' 71' ' ' PHE . 1.8 mp -55.35 -52.96 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.228 174.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.3 m -57.91 -32.48 67.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.517 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.48 -53.05 61.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.824 0.345 . . . . 0.0 110.74 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.512 ' HB2' ' CD ' ' A' ' 33' ' ' LYS . . . -58.59 -38.55 78.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.215 175.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 16' ' ' LEU . 3.4 mm? -59.25 -41.44 88.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.862 0.363 . . . . 0.0 110.93 176.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.2 -23.0 65.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.871 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.5 -29.76 30.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.346 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.7 p -110.92 30.37 6.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.16 0.505 . . . . 0.0 111.506 -178.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -82.96 18.07 1.74 Allowed 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 120.979 0.419 . . . . 0.0 111.073 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.83 130.89 20.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.347 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.35 131.72 46.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.989 0.423 . . . . 0.0 109.955 178.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.79 -24.07 33.62 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -170.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.2 t -109.83 38.55 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 176.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.59 ' HB2' ' OE2' ' A' ' 82' ' ' GLU . 22.7 p90 -96.53 122.22 39.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.858 -177.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.38 83.54 1.97 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.586 0.708 . . . . 0.0 110.529 177.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.56 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 6.1 p-80 -68.93 -31.98 71.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.532 -178.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.468 ' O ' HG22 ' A' ' 32' ' ' THR . 65.1 tttp -66.84 -41.61 87.12 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.472 ' HA ' ' CG2' ' A' ' 32' ' ' THR . . . -59.65 -32.52 70.53 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.374 175.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.654 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 83.5 t80 -57.24 -52.5 65.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.064 177.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -68.06 -37.98 81.91 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.504 -177.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.472 ' CG2' ' HA ' ' A' ' 29' ' ' ALA . 8.2 t -79.62 -26.14 41.24 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -174.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -77.34 -28.64 53.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.465 0.65 . . . . 0.0 109.332 176.145 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.654 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -94.01 -21.99 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.807 -169.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.55 22.35 34.43 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.298 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.494 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 10.0 tp -84.31 -20.27 32.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.686 0.279 . . . . 0.0 111.328 -176.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.459 ' HA ' HG22 ' A' ' 107' ' ' ILE . . . -79.91 -13.6 59.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.903 0.383 . . . . 0.0 111.121 -176.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -113.97 38.01 3.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.312 0.577 . . . . 0.0 110.038 176.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.468 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 48.9 mmtt -94.89 158.52 15.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.527 0.679 . . . . 0.0 112.436 -176.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.9 m -89.27 163.51 33.71 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.178 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -48.4 -50.54 11.99 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.221 2.614 . . . . 0.0 113.897 -175.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.09 -34.77 78.31 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.897 0.38 . . . . 0.0 111.68 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.572 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 1.3 m-20 -67.95 -50.65 54.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.348 0.594 . . . . 0.0 109.411 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 44' ' ' ILE . 16.4 mm -66.79 -28.47 43.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.98 179.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 21.3 tptm -59.86 -48.33 82.14 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.342 0.591 . . . . 0.0 110.797 177.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.706 ' O ' HG13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -73.87 -20.71 60.34 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.004 179.213 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.573 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 73.6 t -68.31 -39.4 80.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.004 0.43 . . . . 0.0 109.842 172.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.592 ' CG ' HG13 ' A' ' 100' ' ' VAL . 19.8 m-30 -52.99 -41.35 64.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.54 173.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.684 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 7.2 pt-20 -79.95 -14.94 58.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.27 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.706 HG13 ' O ' ' A' ' 46' ' ' LYS . 66.0 mt -67.06 -49.32 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.679 176.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.778 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -62.3 -36.9 76.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 177.77 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -83.85 64.64 8.19 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.301 176.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.552 HE21 ' HA ' ' A' ' 63' ' ' GLU . 15.8 pt20 -57.58 -30.46 65.29 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.407 0.622 . . . . 0.0 110.854 -173.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -80.85 -19.62 44.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.811 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.8 tptp 59.8 63.77 1.42 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 122.899 0.48 . . . . 0.0 111.377 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.39 13.4 3.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.13 -177.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.3 t70 74.28 -2.96 2.66 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.669 0.788 . . . . 0.0 111.435 178.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -118.93 138.68 52.61 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 173.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.778 HG11 ' HB ' ' A' ' 51' ' ' ILE . 43.3 t -129.1 88.42 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -174.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.531 ' HG2' ' H ' ' A' ' 61' ' ' GLU . 21.9 tt0 -87.32 172.89 9.52 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 122.461 -0.149 . . . . 0.0 110.9 -176.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.531 ' H ' ' HG2' ' A' ' 60' ' ' GLU . 40.2 tt0 -57.49 -43.62 84.26 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -175.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -55.9 -30.62 61.87 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.907 0.384 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.552 ' HA ' HE21 ' A' ' 53' ' ' GLN . 36.1 mt-10 -69.78 -39.91 76.35 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.759 177.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.553 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 3.5 mp -69.82 -18.91 63.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.89 0.376 . . . . 0.0 111.729 178.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.622 ' O ' HD12 ' A' ' 68' ' ' LEU . 1.5 mptm? -65.41 -49.15 70.31 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.075 0.465 . . . . 0.0 110.19 174.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.3 mt -104.09 3.34 33.05 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -177.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.627 ' HD2' HG22 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -65.91 -26.02 67.42 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 175.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.622 HD12 ' O ' ' A' ' 65' ' ' LYS . 1.6 mt -67.73 -38.82 84.08 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 114.07 -1.423 . . . . 0.0 109.911 176.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' ' 72' ' ' SER . 19.5 mm-40 -69.2 -17.33 63.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.121 177.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -80.42 -41.52 24.37 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 173.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.453 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -62.04 -48.62 79.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.335 176.752 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 47.9 t -146.87 137.3 23.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.51 177.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.4 -1.95 29.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.739 -177.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -118.75 28.88 6.53 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.952 177.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.41 158.98 16.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.028 0.442 . . . . 0.0 111.172 -177.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.407 ' O ' HD13 ' A' ' 68' ' ' LEU . 34.2 mmt180 -102.73 142.96 33.01 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.28 118.15 17.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.087 0.47 . . . . 0.0 110.937 -178.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.96 152.28 44.9 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.733 176.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.5 m -145.46 164.39 31.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.011 0.434 . . . . 0.0 111.843 -173.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 56.55 -131.55 1.63 Allowed 'General case' 0 C--O 1.237 0.412 0 CA-C-N 114.969 -1.014 . . . . 0.0 112.417 172.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.14 -26.69 68.46 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.388 -170.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.59 ' OE2' ' HB2' ' A' ' 25' ' ' PHE . 4.9 tp10 -63.41 -65.46 0.68 Allowed 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.589 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -60.68 -31.61 70.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.59 0.233 . . . . 0.0 110.971 -176.594 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -51.71 37.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.808 0.337 . . . . 0.0 110.968 -177.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 99.6 t -71.28 -36.38 61.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.201 0.524 . . . . 0.0 110.064 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -62.7 -35.56 80.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.469 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.615 HD23 HG12 ' A' ' 98' ' ' ILE . 53.1 mt -61.02 -47.96 83.99 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.737 0.303 . . . . 0.0 110.307 172.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.413 ' HA ' ' HB3' ' A' ' 91' ' ' ASP . 32.1 mmtp -69.57 -19.28 63.68 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -176.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.64 -26.0 66.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.142 0.496 . . . . 0.0 110.12 173.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.575 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -120.23 8.84 11.22 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.956 178.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.413 ' HB3' ' HA ' ' A' ' 88' ' ' LYS . 41.2 t0 -107.67 99.04 8.56 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 167.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.425 ' H ' ' CD ' ' A' ' 102' ' ' GLU . 24.2 m -93.46 -21.52 19.44 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.235 0.54 . . . . 0.0 110.714 -174.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -95.25 -17.55 21.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.38 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.11 52.1 4.74 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.851 175.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -106.16 -2.69 22.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.554 0.216 . . . . 0.0 111.191 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.34 30.15 10.34 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 120.775 -0.726 . . . . 0.0 113.357 173.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 11.5 pttm -156.93 170.75 21.79 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -174.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.615 HG12 HD23 ' A' ' 87' ' ' LEU . 20.0 mm -89.16 124.27 41.82 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 169.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.418 ' HA3' ' HG3' ' A' ' 102' ' ' GLU . . . -85.73 136.09 13.99 Favored Glycine 0 N--CA 1.433 -1.558 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 172.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.592 HG13 ' CG ' ' A' ' 48' ' ' PHE . 2.9 t -56.48 -49.87 75.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-O 120.859 0.362 . . . . 0.0 110.682 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -66.65 -29.89 70.03 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.135 0.493 . . . . 0.0 110.828 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.575 ' HB2' ' O ' ' A' ' 90' ' ' GLY . 13.0 mt-10 -77.27 -33.14 55.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.77 -176.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.575 ' O ' ' HB3' ' A' ' 106' ' ' MET . 47.0 t80 -72.78 -35.04 67.34 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 122.846 0.458 . . . . 0.0 110.42 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.35 -47.52 90.39 Favored Glycine 0 C--O 1.237 0.324 0 C-N-CA 120.169 -1.015 . . . . 0.0 110.92 174.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.89 -23.91 66.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.255 -0.473 . . . . 0.0 110.253 175.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.575 ' HB3' ' O ' ' A' ' 103' ' ' PHE . 10.9 ttm -66.26 -48.9 68.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.296 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.485 HD11 ' CE2' ' A' ' 103' ' ' PHE . 45.5 mt -69.99 -34.39 59.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.968 0.89 . . . . 0.0 109.263 -174.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.437 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 4.9 tmmm? -77.96 -25.26 48.09 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.271 -1.331 . . . . 0.0 110.93 -178.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.441 -0.79 . . . . 0.0 111.369 -178.017 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.183 0 N-CA-C 113.18 0.032 . . . . 0.0 113.18 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.0 mt -68.31 -38.23 79.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.823 0.82 . . . . 0.0 108.835 172.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.506 HD13 ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -136.79 147.72 46.79 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.3 178.454 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -101.09 114.35 28.21 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.714 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.65 -29.42 64.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.754 -176.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.76 -41.48 95.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.187 176.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.78 -40.15 79.81 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.012 0.434 . . . . 0.0 110.495 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.508 HG12 ' CE2' ' A' ' 71' ' ' PHE . 1.8 mp -59.41 -47.09 91.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.908 174.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.4 m -62.28 -36.27 81.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.892 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.83 -52.99 62.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.988 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.87 82.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.592 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.418 HD13 ' CB ' ' A' ' 75' ' ' ALA . 39.4 mt -70.46 -42.57 71.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.525 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.67 -17.14 61.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.108 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.76 -33.83 71.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.037 0.446 . . . . 0.0 110.439 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 24' ' ' SER . 35.3 m -127.08 41.96 3.42 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.826 -174.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -81.37 53.73 2.14 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.073 0.463 . . . . 0.0 111.712 -176.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.15 139.66 17.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.494 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.53 122.51 14.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.401 178.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.579 ' H ' ' CD ' ' A' ' 82' ' ' GLU . . . 99.49 -5.56 58.75 Favored Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.544 -177.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.455 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 21.6 t -118.28 -16.59 9.65 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -175.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -56.94 121.45 9.95 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.95 0.405 . . . . 0.0 111.834 -176.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.463 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 13.9 m-20 -105.8 93.89 4.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.88 178.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -61.05 -36.27 79.13 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.816 0.817 . . . . 0.0 110.796 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.503 ' HG3' ' CE2' ' A' ' 31' ' ' PHE . 87.0 tttt -76.21 -49.53 16.91 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 114.617 -1.174 . . . . 0.0 110.027 -175.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.463 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . . . -56.06 -34.79 66.26 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.219 176.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.666 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 91.9 t80 -57.34 -59.55 4.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.071 177.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.503 ' CE2' ' HG3' ' A' ' 28' ' ' LYS . 1.2 p90 -60.28 -37.52 80.73 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.309 0.576 . . . . 0.0 111.38 -174.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.471 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 11.2 t -87.22 -29.12 21.95 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.588 -169.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -81.17 -30.21 34.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.797 0.808 . . . . 0.0 109.547 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.666 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -78.19 -35.57 20.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 114.185 -1.37 . . . . 0.0 111.261 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.71 16.07 27.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.647 -177.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.458 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 11.5 tp -74.26 -15.14 60.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.13 0.49 . . . . 0.0 110.367 -175.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.541 ' HA ' HG22 ' A' ' 107' ' ' ILE . . . -76.31 -5.39 46.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.543 -178.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -118.62 29.31 7.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.728 ' HD3' ' OD2' ' A' ' 43' ' ' ASP . 11.3 mmpt? -84.06 135.59 34.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.917 0.389 . . . . 0.0 110.156 178.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.2 m -70.31 156.5 91.77 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.119 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -45.42 -53.94 4.94 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.109 2.54 . . . . 0.0 113.769 -177.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 45' ' ' LYS . . . -69.08 -26.56 64.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.296 0.57 . . . . 0.0 111.229 -178.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.728 ' OD2' ' HD3' ' A' ' 39' ' ' LYS . 25.1 t0 -74.91 -37.04 62.18 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.299 0.571 . . . . 0.0 109.534 178.067 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.437 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 4.1 mm -66.7 -24.18 32.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.892 170.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.61 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 4.1 tppp? -69.63 -36.05 75.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.671 177.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.607 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -74.93 -22.33 58.66 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 119.447 -0.901 . . . . 0.0 109.403 173.679 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.57 ' HA ' HD12 ' A' ' 50' ' ' ILE . 95.5 t -68.81 -33.82 61.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 171.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.61 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -51.55 -49.31 62.28 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.895 168.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -61.85 -21.17 64.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.65 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 47' ' ' VAL . 64.9 mt -73.16 -54.4 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.209 175.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.816 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -67.65 -30.57 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 118.804 0.729 . . . . 0.0 109.345 177.858 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.416 ' HB2' HG22 ' A' ' 59' ' ' VAL . 26.5 t0 -84.15 74.32 10.3 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.427 176.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.406 ' OE1' ' HB2' ' A' ' 66' ' ' LEU . 64.6 tt0 -56.18 -36.87 68.84 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.448 0.642 . . . . 0.0 110.761 -176.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -82.47 -19.19 39.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.845 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.489 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 52.6 tptt 59.12 67.69 0.89 Allowed 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 121.929 0.871 . . . . 0.0 112.139 172.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.1 p -142.05 23.53 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.904 176.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.1 t70 78.54 -1.46 2.44 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.907 0.883 . . . . 0.0 111.509 174.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -121.98 121.01 36.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.864 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.816 HG11 ' HB ' ' A' ' 51' ' ' ILE . 77.9 t -107.56 96.35 4.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.779 0.323 . . . . 0.0 111.202 -176.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.434 ' O ' HD12 ' A' ' 64' ' ' LEU . 45.0 mt-10 -93.14 176.13 6.52 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -70.82 -39.38 73.08 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -175.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -58.49 -31.61 68.02 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 67' ' ' PHE . 44.4 mt-10 -69.2 -55.21 11.26 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.243 173.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.508 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 0.5 OUTLIER -60.17 -18.53 48.63 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -176.709 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.495 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -68.44 -49.38 60.36 Favored 'General case' 0 N--CA 1.435 -1.224 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.286 174.402 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.472 HD22 HE21 ' A' ' 69' ' ' GLN . 30.9 mt -103.59 -1.02 28.9 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -175.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.523 ' CD2' HG22 ' A' ' 50' ' ' ILE . 1.5 p90 -59.86 -29.36 68.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.776 0.798 . . . . 0.0 109.058 -176.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -67.59 -45.34 75.8 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.283 -179.704 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.472 HE21 HD22 ' A' ' 66' ' ' LEU . 38.0 mt-30 -74.18 -8.09 54.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.018 -178.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -91.58 -32.55 15.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.312 173.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.508 ' CE2' HG12 ' A' ' 12' ' ' ILE . 5.9 t80 -72.82 -51.12 20.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.558 178.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.8 m -141.27 151.19 43.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.108 0.48 . . . . 0.0 110.771 -178.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.65 -20.98 49.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.774 -175.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -98.16 25.12 28.98 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.03 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.418 ' CB ' HD13 ' A' ' 16' ' ' LEU . . . -95.56 150.2 20.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.974 0.416 . . . . 0.0 111.393 -178.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -107.46 138.83 42.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.777 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -78.89 125.88 29.96 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 176.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.3 mp -77.3 150.78 35.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.786 -178.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.459 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 25.2 m -143.08 158.93 43.15 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.986 176.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.453 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 9.8 m-20 63.06 -140.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.501 0.501 . . . . 0.0 111.246 176.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.29 -20.22 65.28 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -171.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.579 ' CD ' ' H ' ' A' ' 23' ' ' GLY . 6.0 mm-40 -60.94 -53.47 56.83 Favored 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -177.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.587 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 1.4 m -64.71 -36.48 84.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.418 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 80' ' ' ASP . 11.6 mmpt? -58.44 -58.94 6.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.929 0.395 . . . . 0.0 110.439 -179.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.7 -36.2 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.74 -178.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -58.89 -42.28 89.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.21 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 83' ' ' THR . 96.9 mt -70.06 -50.36 41.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.311 176.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -58.65 -22.52 56.95 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.73 -31.46 66.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.068 0.461 . . . . 0.0 110.68 176.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.439 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -118.22 -50.38 0.34 Allowed Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.883 178.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.477 ' HA ' ' CD ' ' A' ' 102' ' ' GLU . 24.1 t0 -60.29 103.97 0.28 Allowed 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.4 m -95.87 -14.09 23.45 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.131 0.491 . . . . 0.0 110.029 -173.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.08 -24.55 47.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.735 177.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 73.76 25.24 72.48 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.843 -174.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.454 ' OD2' ' HB3' ' A' ' 97' ' ' LYS . 1.5 p-10 -87.13 -9.02 56.36 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.513 -0.344 . . . . 0.0 110.794 -172.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.82 29.34 18.6 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.335 -0.936 . . . . 0.0 112.517 174.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.454 ' HB3' ' OD2' ' A' ' 95' ' ' ASP . 0.0 OUTLIER -142.84 156.83 45.01 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -177.251 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.558 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 14.4 mm -102.4 101.08 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.574 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.046 172.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.91 139.47 42.87 Favored Glycine 0 N--CA 1.432 -1.575 0 N-CA-C 107.716 -2.154 . . . . 0.0 107.716 162.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.421 ' CG2' ' HB2' ' A' ' 48' ' ' PHE . 97.4 t -62.44 -39.56 84.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 CA-C-N 117.755 0.778 . . . . 0.0 110.691 -174.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -63.07 -35.07 79.04 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.087 172.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.477 ' CD ' ' HA ' ' A' ' 91' ' ' ASP . 14.2 mt-10 -66.09 -41.07 91.14 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.94 176.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.558 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . 14.6 t80 -64.55 -46.55 82.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.378 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.48 -35.92 74.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.799 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.63 -22.57 63.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.533 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 8.1 ptp -87.63 -25.02 23.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.166 0.508 . . . . 0.0 109.862 177.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.541 HG22 ' HA ' ' A' ' 37' ' ' ALA . 85.1 mt -79.57 -42.21 22.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.863 0.84 . . . . 0.0 109.409 -178.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.463 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 0.9 OUTLIER -83.61 -30.17 27.15 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.568 -1.196 . . . . 0.0 109.764 179.568 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.136 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.981 -176.766 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.0 mt -58.46 -40.56 78.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.51 0.672 . . . . 0.0 109.385 174.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.513 HD13 ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -111.67 150.64 29.87 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.66 175.458 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -101.12 108.32 19.97 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -49.09 -38.27 24.1 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.423 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.27 -46.94 81.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.421 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.2 -37.95 78.37 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.938 0.399 . . . . 0.0 110.989 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.24 -47.21 94.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.752 174.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.6 m -58.95 -36.99 75.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.143 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.27 -47.53 83.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.199 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.36 -41.31 98.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.089 0.471 . . . . 0.0 110.302 177.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.4 HD13 ' HB1' ' A' ' 75' ' ' ALA . 92.2 mt -67.52 -19.59 65.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.158 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.71 -31.07 36.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.026 0.441 . . . . 0.0 110.51 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.43 -43.66 26.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.317 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.475 ' HB3' ' OE1' ' A' ' 82' ' ' GLU . 36.6 m -89.45 17.51 6.18 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.139 -177.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -74.38 -42.42 59.31 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.23 118.2 17.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.745 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -60.28 122.41 14.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.93 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.12 -26.28 14.13 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -175.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.8 m -96.97 48.86 1.06 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.351 0.596 . . . . 0.0 109.986 178.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.436 ' CE1' HG11 ' A' ' 85' ' ' VAL . 3.8 p90 -90.66 131.57 36.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.907 -174.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -138.9 91.85 2.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.882 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -61.43 -31.59 71.54 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.637 0.732 . . . . 0.0 109.899 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.605 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 88.7 tttt -68.22 -47.12 68.7 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.236 -177.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.22 -38.63 71.32 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.384 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -61.42 -54.35 44.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.081 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.605 ' CD2' ' HA ' ' A' ' 28' ' ' LYS . 1.8 p90 -65.91 -42.46 90.13 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.935 0.398 . . . . 0.0 111.471 -173.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.589 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 5.8 t -87.1 -21.73 25.83 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -168.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -74.7 -48.59 25.1 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.032 0.444 . . . . 0.0 110.469 177.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 m -78.48 -5.06 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.85 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.824 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.47 ' O ' ' HG2' ' A' ' 39' ' ' LYS . . . 71.16 34.57 64.46 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.45 -0.796 . . . . 0.0 112.318 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.499 HD12 ' HG3' ' A' ' 39' ' ' LYS . 22.0 tp -77.1 -29.41 54.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.784 0.326 . . . . 0.0 110.738 -177.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.536 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . . . -69.82 -21.51 63.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.021 0.438 . . . . 0.0 110.357 179.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.67 23.91 9.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.593 177.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.499 ' HG3' HD12 ' A' ' 36' ' ' LEU . 43.7 mmtm -97.16 150.26 21.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.101 0.477 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.412 ' OG ' ' HD2' ' A' ' 41' ' ' PRO . 8.5 t -80.44 151.3 71.82 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.426 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.412 ' HD2' ' OG ' ' A' ' 40' ' ' SER . 43.4 Cg_exo -38.91 -50.36 2.59 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.565 2.844 . . . . 0.0 114.296 -178.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.5 -40.22 78.19 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.592 ' O ' HG23 ' A' ' 47' ' ' VAL . 25.1 m-20 -65.97 -49.49 67.7 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.29 0.566 . . . . 0.0 109.565 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.9 mt -67.52 -26.98 36.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.219 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 25.2 mmtp -61.61 -45.76 92.71 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.793 0.33 . . . . 0.0 111.232 176.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.55 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -72.69 -24.74 61.05 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.019 179.32 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 43' ' ' ASP . 60.9 t -67.84 -33.68 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 173.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.82 ' HA ' HD11 ' A' ' 51' ' ' ILE . 20.6 m-30 -57.05 -40.02 75.99 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.342 0.592 . . . . 0.0 110.12 172.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.58 -24.08 66.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.993 177.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.532 ' CD1' ' HA ' ' A' ' 47' ' ' VAL . 45.7 mt -70.9 -45.13 74.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.82 HD11 ' HA ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -64.56 -24.8 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 176.85 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -87.07 62.87 7.6 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.236 173.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.96 -47.33 52.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.8 0.81 . . . . 0.0 109.915 -178.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.403 ' HB3' ' OE1' ' A' ' 63' ' ' GLU . 11.1 t70 -78.29 -15.03 59.16 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.606 -177.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.419 ' HD2' ' HA ' ' A' ' 55' ' ' LYS . 12.9 mmmm 59.29 64.63 1.32 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.98 0.895 . . . . 0.0 111.033 -178.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.416 ' C ' ' H ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -110.88 3.76 19.17 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.57 -1.196 . . . . 0.0 110.692 -173.713 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 56' ' ' SER . 31.9 m-20 72.47 -2.41 2.63 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.805 0.842 . . . . 0.0 109.826 -171.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.416 ' H ' ' C ' ' A' ' 56' ' ' SER . 95.8 m-85 -144.96 140.36 28.16 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.656 -1.156 . . . . 0.0 108.107 175.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.808 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 0.8 OUTLIER -99.26 126.67 52.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -179.726 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -91.89 172.72 8.27 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.595 175.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.88 -44.21 93.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.676 0.274 . . . . 0.0 110.485 177.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -65.83 -27.63 68.39 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.288 0.566 . . . . 0.0 110.006 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 67' ' ' PHE . 32.5 mt-10 -66.24 -37.53 85.73 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.273 174.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.579 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -70.65 -26.62 63.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.048 0.452 . . . . 0.0 110.829 178.567 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.657 ' O ' HD12 ' A' ' 68' ' ' LEU . 1.4 mptm? -63.01 -43.89 97.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.421 0.629 . . . . 0.0 110.422 176.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.8 mt -103.31 -0.42 30.26 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.191 -175.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.579 ' HD1' ' O ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -65.94 -25.38 67.1 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.511 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -67.27 -43.08 82.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.289 178.705 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -72.16 -15.0 61.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.571 177.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.418 ' ND2' ' HA ' ' A' ' 50' ' ' ILE . 51.5 t30 -87.44 -26.84 23.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.345 176.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -77.85 -46.17 22.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.57 -177.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.1 p -127.87 -169.3 2.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.297 -175.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.49 -44.0 25.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.731 0.3 . . . . 0.0 111.515 -177.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -146.62 98.81 0.2 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.95 -177.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.4 ' HB1' HD13 ' A' ' 16' ' ' LEU . . . -122.27 133.62 54.69 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.929 0.395 . . . . 0.0 111.522 -176.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.515 ' HD3' ' N ' ' A' ' 76' ' ' ARG . 0.6 OUTLIER -64.09 135.05 56.04 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.599 174.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.42 117.93 16.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.152 0.501 . . . . 0.0 110.639 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.527 ' HG ' ' HG2' ' A' ' 82' ' ' GLU . 6.6 mp -64.93 139.86 58.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.317 177.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.409 ' O ' ' HB3' ' A' ' 82' ' ' GLU . 48.2 t -146.74 170.46 16.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.578 -175.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 67.76 -149.5 0.16 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.714 175.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.706 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -58.09 -24.13 57.41 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -175.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.527 ' HG2' ' HG ' ' A' ' 78' ' ' LEU . 6.4 tp10 -55.91 -60.98 2.7 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 123.334 0.396 . . . . 0.0 110.637 -179.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.405 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -58.19 -33.14 68.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.623 0.249 . . . . 0.0 110.702 -177.691 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -62.7 -61.89 2.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.179 0.514 . . . . 0.0 111.409 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.706 HG12 ' O ' ' A' ' 81' ' ' ALA . 2.3 p -68.39 -35.59 71.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.73 -178.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -62.78 -42.62 99.78 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.229 178.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.499 HD23 HG12 ' A' ' 98' ' ' ILE . 61.4 mt -62.1 -44.74 96.0 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.993 0.425 . . . . 0.0 110.271 173.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -64.27 -16.97 63.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.738 -174.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.22 -37.58 69.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.195 0.521 . . . . 0.0 109.716 172.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.455 ' O ' ' HB3' ' A' ' 102' ' ' GLU . . . -104.87 -47.38 1.18 Allowed Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.557 178.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.559 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 10.4 t0 -59.33 101.35 0.1 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.332 0.586 . . . . 0.0 110.577 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.4 m -98.81 -7.74 26.97 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.762 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -87.85 -24.29 23.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.797 -176.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.39 33.08 29.38 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 110.002 -1.239 . . . . 0.0 110.002 -169.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.595 ' OD1' ' HG2' ' A' ' 97' ' ' LYS . 6.7 p30 -91.39 -19.08 23.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.27 -0.465 . . . . 0.0 111.754 -175.089 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.02 28.27 54.53 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.129 178.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.808 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 10.1 ptmt -146.42 175.18 10.74 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -177.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.76 ' HB ' HG21 ' A' ' 59' ' ' VAL . 26.7 mm -109.0 105.25 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.098 0 C-N-CA 119.753 -0.779 . . . . 0.0 110.04 175.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.4 136.7 49.26 Favored Glycine 0 N--CA 1.43 -1.724 0 N-CA-C 108.188 -1.965 . . . . 0.0 108.188 166.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.667 HG13 ' CG ' ' A' ' 48' ' ' PHE . 5.6 t -57.73 -42.63 82.2 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 CA-C-O 121.514 0.673 . . . . 0.0 110.77 -176.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -67.72 -33.45 74.9 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.082 175.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.455 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 28.1 mt-10 -67.07 -34.01 76.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.64 178.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.722 ' O ' ' HG2' ' A' ' 106' ' ' MET . 51.8 t80 -62.27 -44.81 95.69 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -53.57 -43.81 67.8 Favored Glycine 0 CA--C 1.52 0.394 0 C-N-CA 120.122 -1.037 . . . . 0.0 111.507 175.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.35 97.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.502 -0.349 . . . . 0.0 111.84 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.722 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 17.8 ptm -72.73 -21.45 61.03 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 111.51 0.189 . . . . 0.0 111.51 -176.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.619 HG13 ' O ' ' A' ' 103' ' ' PHE . 69.9 mt -73.45 -37.01 49.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 122.136 0.97 . . . . 0.0 108.591 177.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.431 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 4.0 tmmm? -86.5 -21.31 27.05 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 113.998 -1.455 . . . . 0.0 111.24 -178.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.772 -0.632 . . . . 0.0 111.776 -176.099 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.293 0 N-CA-C 113.403 0.121 . . . . 0.0 113.403 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.3 mt -70.21 -36.23 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.728 . . . . 0.0 109.386 176.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.577 HD13 ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -130.73 146.4 52.19 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.476 176.628 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -89.86 106.69 18.64 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.42 -30.83 65.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -175.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.8 -35.82 80.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.076 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.41 -41.25 63.52 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.114 0.483 . . . . 0.0 110.361 178.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.54 -48.41 87.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.845 173.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.1 m -62.44 -32.93 73.86 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.953 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.14 -49.67 68.98 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.872 0.368 . . . . 0.0 110.767 178.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.69 -43.92 90.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.783 176.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.9 -26.61 64.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.546 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.9 -28.29 66.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.056 0.455 . . . . 0.0 110.346 176.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.18 -41.91 14.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.267 0.556 . . . . 0.0 110.01 173.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 49.7 t -87.84 34.35 0.72 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.216 -176.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -102.06 -9.87 20.19 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.184 0.516 . . . . 0.0 109.833 173.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.3 114.55 11.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.994 -177.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.41 ' HA ' ' CZ ' ' A' ' 25' ' ' PHE . 41.1 mt-10 -62.06 126.47 27.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.2 178.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.61 2.75 84.49 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.363 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.9 m -148.85 71.62 1.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.245 0.545 . . . . 0.0 110.804 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.431 ' HB3' ' SG ' ' A' ' 19' ' ' CYS . 78.3 m-85 -108.47 148.76 29.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.997 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.764 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 8.0 m-20 -124.6 84.64 2.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.476 0.655 . . . . 0.0 110.269 176.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.511 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 7.3 t60 -68.12 -46.23 71.45 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.301 -175.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.506 ' HE3' ' O ' ' A' ' 109' ' ' ALA . 85.6 tttt -66.39 -46.48 76.51 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.072 178.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.764 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . . . -58.4 -32.03 68.24 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.406 178.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.511 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 91.3 t80 -56.26 -55.63 30.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.501 175.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -61.19 -43.0 99.57 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -177.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.446 ' CG2' ' HA ' ' A' ' 29' ' ' ALA . 3.9 t -75.84 -21.73 56.96 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.684 -177.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -81.94 -45.5 15.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.711 0.291 . . . . 0.0 110.963 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 30' ' ' PHE . 13.9 m -80.49 -10.79 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-O 121.027 0.441 . . . . 0.0 111.47 -179.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.9 25.97 56.89 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.58 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.0 tp -76.34 -14.46 60.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.219 0.533 . . . . 0.0 110.099 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.435 ' HA ' HG22 ' A' ' 107' ' ' ILE . . . -73.59 -12.47 60.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.213 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -103.04 26.8 7.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.987 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -94.81 139.79 30.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.278 0.561 . . . . 0.0 111.107 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.417 ' OG ' ' HD2' ' A' ' 41' ' ' PRO . 8.8 t -82.56 153.05 67.85 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.767 176.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.417 ' HD2' ' OG ' ' A' ' 40' ' ' SER . 68.3 Cg_exo -41.2 -36.55 2.5 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.109 2.539 . . . . 0.0 114.07 -177.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.39 -46.41 88.75 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.638 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 29.0 t70 -79.28 -26.91 42.25 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-O 121.222 0.534 . . . . 0.0 110.126 -177.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.473 HD13 ' HA ' ' A' ' 44' ' ' ILE . 9.1 mm -72.42 -21.81 20.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-O 121.42 0.629 . . . . 0.0 109.713 172.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.713 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 21.7 tptm -71.55 -39.37 70.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.573 175.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.638 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -69.9 -28.01 65.27 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.262 173.41 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 43' ' ' ASP . 69.7 t -63.79 -37.7 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.754 172.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.713 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -47.22 -50.56 20.75 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.02 0.438 . . . . 0.0 110.555 169.385 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -65.44 -17.75 64.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.824 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.647 ' HA ' ' ND2' ' A' ' 70' ' ' ASN . 28.3 mt -81.84 -46.31 19.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-O 119.375 -0.345 . . . . 0.0 111.759 176.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.775 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -67.18 -29.59 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 176.081 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -83.59 61.55 6.32 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 171.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.488 ' OE1' ' HB2' ' A' ' 70' ' ' ASN . 15.6 tp60 -45.35 -46.35 12.96 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.414 0.626 . . . . 0.0 111.524 -178.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.794 ' HB3' ' OE2' ' A' ' 63' ' ' GLU . 0.7 OUTLIER -79.65 -16.66 55.37 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.112 -0.949 . . . . 0.0 112.142 -177.575 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.7 mmmp? 63.65 65.5 0.73 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.479 0.656 . . . . 0.0 111.036 178.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.97 9.46 26.5 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.058 -176.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 63.52 14.4 8.0 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.702 0.763 . . . . 0.0 109.548 -171.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -151.54 132.28 14.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.17 -1.377 . . . . 0.0 107.581 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.775 HG11 ' HB ' ' A' ' 51' ' ' ILE . 72.2 t -97.46 111.9 28.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-O 121.074 0.464 . . . . 0.0 111.664 -175.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -92.98 179.41 5.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.598 -175.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -78.43 -45.37 22.43 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.966 0.412 . . . . 0.0 111.08 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 19.8 t70 -64.53 -19.15 65.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.563 0.697 . . . . 0.0 109.908 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.794 ' OE2' ' HB3' ' A' ' 54' ' ' ASP . 83.7 mt-10 -75.85 -36.19 59.69 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.674 174.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.412 ' HG ' ' CD1' ' A' ' 87' ' ' LEU . 3.2 mm? -66.13 -21.69 66.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.077 0.465 . . . . 0.0 110.232 175.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.503 ' O ' HD23 ' A' ' 68' ' ' LEU . 9.2 mptt -63.59 -52.76 59.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.269 175.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.406 HD22 ' HB3' ' A' ' 65' ' ' LYS . 1.3 mm? -100.93 4.69 42.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.956 0.408 . . . . 0.0 111.557 -177.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.541 ' CD1' HG22 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -50.96 -31.2 17.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.797 0.808 . . . . 0.0 109.636 174.014 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.57 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.7 mm? -63.91 -55.82 19.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.871 -1.059 . . . . 0.0 111.395 -177.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -74.15 -4.49 36.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.266 0.555 . . . . 0.0 110.221 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.647 ' ND2' ' HA ' ' A' ' 50' ' ' ILE . 64.1 t30 -89.09 -25.88 21.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.151 174.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -84.5 -39.83 18.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.953 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.7 p -143.36 162.22 36.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.14 -174.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.29 -9.26 55.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.766 -174.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -134.8 66.23 0.57 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.787 -0.721 . . . . 0.0 111.874 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.57 ' HB1' ' HB3' ' A' ' 68' ' ' LEU . . . -121.91 166.07 14.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.014 0.435 . . . . 0.0 111.833 -175.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.552 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 20.1 mmm180 -115.27 136.01 53.55 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.772 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.4 118.6 12.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.095 0.474 . . . . 0.0 110.687 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 69.3 mt -70.2 139.77 52.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.736 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.5 m -143.19 173.96 11.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.762 0.315 . . . . 0.0 111.573 -176.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.509 ' O ' ' HG3' ' A' ' 84' ' ' LYS . 6.2 t70 56.62 -146.18 0.58 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.644 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.716 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -50.67 -35.02 28.81 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -172.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.71 ' O ' ' HB2' ' A' ' 86' ' ' PHE . 17.4 tp10 -53.09 -50.18 64.93 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 123.191 0.307 . . . . 0.0 110.917 -176.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.794 ' O ' ' HB2' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -70.18 -28.02 64.98 Favored 'General case' 0 C--O 1.21 -1.017 0 C-N-CA 119.726 -0.79 . . . . 0.0 110.572 -179.005 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 80' ' ' ASP . 31.0 mtpt -78.4 -62.65 1.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.939 0.399 . . . . 0.0 111.447 -174.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.716 HG12 ' O ' ' A' ' 81' ' ' ALA . 2.8 p -69.99 -36.05 67.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.167 -175.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.71 ' HB2' ' O ' ' A' ' 82' ' ' GLU . 41.2 m-85 -85.02 -17.03 38.8 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -176.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.794 ' HB2' ' O ' ' A' ' 83' ' ' THR . 19.3 tp -63.86 -42.8 97.47 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 163.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 34.9 mmtp -75.06 -15.63 60.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.406 -178.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.58 -37.29 62.79 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 169.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.433 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -96.24 -58.33 1.09 Allowed Glycine 0 N--CA 1.438 -1.205 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.767 175.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.605 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 20.6 t0 -64.17 100.52 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.938 0.399 . . . . 0.0 110.773 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.3 m -97.17 -5.27 37.53 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.246 0.546 . . . . 0.0 109.841 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.32 -26.24 30.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.753 -179.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.37 43.93 9.09 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.809 -176.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -109.43 -21.2 12.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.714 0.292 . . . . 0.0 111.665 -175.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.89 28.2 16.53 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.576 177.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.605 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 1.6 ptmm? -137.17 162.25 33.95 Favored 'General case' 0 CA--C 1.505 -0.755 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.491 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 16.1 mm -106.82 98.99 7.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 CA-C-O 121.395 0.617 . . . . 0.0 109.693 176.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.487 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -60.24 138.11 48.8 Favored Glycine 0 N--CA 1.43 -1.75 0 N-CA-C 108.399 -1.88 . . . . 0.0 108.399 165.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.487 ' CG2' ' HB2' ' A' ' 48' ' ' PHE . 84.3 t -65.82 -41.86 91.04 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-O 121.263 0.554 . . . . 0.0 110.388 -175.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.27 -33.75 72.76 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.154 171.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' A' ' 99' ' ' GLY . 9.2 mm-40 -68.82 -41.01 79.18 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.668 177.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.491 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . 25.9 t80 -65.6 -45.81 81.74 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.053 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.88 -34.81 72.74 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.559 176.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.96 89.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.853 -0.174 . . . . 0.0 111.202 178.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.444 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 7.7 ptp -74.69 -21.9 59.14 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.965 0.412 . . . . 0.0 110.469 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.461 HD11 ' CE2' ' A' ' 103' ' ' PHE . 71.7 mt -78.78 -38.34 21.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.89 0.853 . . . . 0.0 109.403 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -84.2 -22.99 30.71 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.508 -176.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.506 ' O ' ' HE3' ' A' ' 28' ' ' LYS . . . . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.163 -0.923 . . . . 0.0 110.468 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.589 0 N-CA-C 111.7 -0.56 . . . . 0.0 111.7 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.69 -36.29 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-O 121.491 0.662 . . . . 0.0 109.972 177.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.606 ' HG ' ' CE1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -138.32 140.07 39.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.391 -0.822 . . . . 0.0 108.991 172.255 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.446 HD22 ' N ' ' A' ' 8' ' ' ASN . 0.9 OUTLIER -97.26 113.72 25.38 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.206 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -49.6 -37.59 28.28 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.802 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.39 -33.47 73.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.616 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 1.2 t0 -82.55 -41.01 20.16 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.588 0.708 . . . . 0.0 110.15 -177.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.21 -46.44 96.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.756 175.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.6 m -59.76 -31.58 69.78 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.223 174.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 11' ' ' ASP . . . -66.07 -51.65 56.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.812 177.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.416 ' HB2' ' HD2' ' A' ' 33' ' ' LYS . . . -55.3 -41.61 72.55 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.815 0.34 . . . . 0.0 111.405 174.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 75' ' ' ALA . 47.6 mt -71.0 -36.17 72.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.376 -178.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.12 -22.91 59.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.137 0.494 . . . . 0.0 110.638 178.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.54 -22.31 61.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.413 0.625 . . . . 0.0 109.397 173.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.3 m -103.51 32.74 3.67 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.186 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -12.03 61.19 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.995 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.71 115.62 9.16 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.32 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -55.73 113.21 1.38 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.388 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.61 0.28 76.01 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.899 -0.667 . . . . 0.0 113.157 175.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.9 m -124.08 80.44 1.82 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.947 0.403 . . . . 0.0 110.807 -177.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -94.5 136.41 34.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.32 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -102.26 91.02 4.11 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.169 0.509 . . . . 0.0 109.733 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -25.41 61.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.945 -179.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.636 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 62.8 tttm -71.7 -51.4 23.1 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.692 -175.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.639 ' O ' ' HB3' ' A' ' 33' ' ' LYS . . . -55.82 -37.2 68.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.466 0.65 . . . . 0.0 110.169 175.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.54 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 66.2 t80 -67.04 -28.55 68.31 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.313 -177.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.66 ' CE1' ' HB ' ' A' ' 32' ' ' THR . 3.1 p90 -89.14 -49.48 6.72 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 119.743 -0.783 . . . . 0.0 111.753 175.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.66 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 4.6 t -86.64 -39.18 16.34 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -167.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.639 ' HB3' ' O ' ' A' ' 29' ' ' ALA . 5.8 tmtm? -80.99 -28.14 35.64 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.828 0.823 . . . . 0.0 108.996 -176.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.54 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 1.3 t -69.36 -33.6 58.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.146 169.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.0 22.96 28.84 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.133 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.556 HD12 ' HG3' ' A' ' 39' ' ' LYS . 20.8 tp -84.33 -20.93 31.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.648 0.261 . . . . 0.0 111.235 -176.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.473 ' HB2' ' HD1' ' A' ' 31' ' ' PHE . . . -64.29 -33.0 74.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.638 0.256 . . . . 0.0 111.467 -177.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.53 28.01 3.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.027 0.441 . . . . 0.0 111.179 -179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.556 ' HG3' HD12 ' A' ' 36' ' ' LEU . 44.0 mmtm -96.63 151.05 19.98 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.675 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 m -74.26 154.14 88.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.599 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -43.19 -46.47 9.25 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.069 2.513 . . . . 0.0 113.262 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.43 -41.79 85.85 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.728 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 69.7 m-20 -73.71 -39.41 64.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.519 0.676 . . . . 0.0 110.334 -177.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.5 mt -72.13 -25.06 23.06 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-O 121.151 0.501 . . . . 0.0 110.353 176.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 48.6 tptt -64.51 -43.96 92.43 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.868 176.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.728 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -66.22 -32.07 73.28 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.521 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.639 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 94.0 t -64.67 -32.78 59.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.895 173.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.767 ' HA ' HD11 ' A' ' 51' ' ' ILE . 17.0 m-30 -59.36 -30.39 68.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.376 0.608 . . . . 0.0 110.148 174.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.451 ' HB3' ' HD3' ' A' ' 55' ' ' LYS . 42.4 mt-10 -80.21 -19.06 47.84 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.963 174.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.7 HD13 ' O ' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -65.02 -45.89 93.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 177.727 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.77 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -64.84 -31.82 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 176.231 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.466 ' HB2' HG22 ' A' ' 59' ' ' VAL . 28.5 t0 -85.36 67.2 10.05 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.963 177.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -48.49 -46.71 38.58 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.272 0.558 . . . . 0.0 111.051 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -71.56 -18.85 62.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.995 -177.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.451 ' HD3' ' HB3' ' A' ' 49' ' ' GLU . 21.0 mmmt 56.0 64.32 1.76 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.12 0.486 . . . . 0.0 111.843 -178.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.4 p -130.25 10.49 5.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.781 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 73.59 -1.16 3.14 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.799 0.839 . . . . 0.0 111.623 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -118.52 122.76 43.46 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 174.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.771 ' HA ' ' OE1' ' A' ' 63' ' ' GLU . 15.7 t -115.5 94.75 3.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 120.585 0.231 . . . . 0.0 111.433 -172.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -92.7 179.95 5.34 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -172.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -69.52 -47.56 63.38 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.388 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 30.9 m-20 -62.11 -20.82 64.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.517 0.675 . . . . 0.0 110.039 -178.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.771 ' OE1' ' HA ' ' A' ' 59' ' ' VAL . 47.0 tt0 -80.65 -43.47 20.39 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.024 177.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.579 ' O ' ' HD2' ' A' ' 67' ' ' PHE . 0.5 OUTLIER -62.18 -18.1 60.01 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.574 175.726 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.49 ' HB3' HD22 ' A' ' 66' ' ' LEU . 11.2 mptt -55.0 -55.77 27.14 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.797 175.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.49 HD22 ' HB3' ' A' ' 65' ' ' LYS . 1.6 mm? -102.71 5.02 38.73 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.579 ' HD2' ' O ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -60.31 -29.99 69.2 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.031 -177.433 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.519 ' HG ' ' CE2' ' A' ' 67' ' ' PHE . 0.7 OUTLIER -71.7 -36.0 70.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.254 -178.634 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -77.61 -10.3 59.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.481 0.658 . . . . 0.0 109.403 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -86.77 -26.16 24.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.961 173.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.606 ' CE1' ' HG ' ' A' ' 7' ' ' LEU . 6.8 t80 -83.08 -51.95 7.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.199 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.1 m -142.0 173.56 11.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.262 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.63 -44.83 10.92 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -174.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.34 49.67 4.23 Favored Glycine 0 CA--C 1.512 -0.105 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.379 -176.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.46 ' HA ' HD13 ' A' ' 16' ' ' LEU . . . -104.21 161.93 13.62 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.076 0.465 . . . . 0.0 111.465 -176.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -110.38 132.43 54.18 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 177.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.3 117.04 14.56 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.129 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 43.2 mt -63.55 121.03 12.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.44 -177.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.516 ' O ' ' HG3' ' A' ' 82' ' ' GLU . 6.5 m -124.71 133.95 53.01 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 -177.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 64.73 -113.34 0.32 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.83 175.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.69 -26.09 65.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.879 0.371 . . . . 0.0 111.529 -172.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 79' ' ' SER . 7.5 mt-10 -64.27 -51.04 65.53 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.446 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -66.87 -42.94 84.79 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.287 177.465 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.428 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 56.5 tttm -57.03 -60.29 3.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.743 -177.144 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.8 t -65.59 -39.41 84.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.036 0.446 . . . . 0.0 110.918 -177.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -63.53 -41.73 98.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.131 -178.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.505 ' HA ' HD11 ' A' ' 98' ' ' ILE . 88.1 mt -62.63 -41.61 99.12 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 176.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 73.5 mmtt -65.32 -21.93 66.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.707 -177.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.79 -23.21 67.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.915 177.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.413 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -122.28 -51.56 0.23 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.928 -178.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.602 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 29.4 t70 -61.32 114.18 3.04 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.786 0.327 . . . . 0.0 111.037 -177.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.4 t -95.03 -13.47 25.19 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.029 0.442 . . . . 0.0 110.202 -176.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.16 -26.0 29.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.424 -174.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.62 37.0 21.48 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.522 -176.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -103.34 -20.55 14.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.687 0.279 . . . . 0.0 111.325 -175.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.41 28.77 12.18 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.893 176.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.602 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 9.9 ptmt -132.92 171.82 13.43 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 179.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.598 ' O ' ' HB ' ' A' ' 59' ' ' VAL . 24.9 mm -112.56 100.05 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.398 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.777 172.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.11 141.33 48.12 Favored Glycine 0 N--CA 1.43 -1.72 0 N-CA-C 108.322 -1.911 . . . . 0.0 108.322 165.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.478 HG12 ' HB3' ' A' ' 48' ' ' PHE . 3.1 m -52.12 -45.65 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.275 0 CA-C-N 117.427 0.613 . . . . 0.0 111.762 -176.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -75.78 -25.6 56.56 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.437 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.413 ' HB3' ' C ' ' A' ' 90' ' ' GLY . 6.0 mm-40 -61.39 -42.66 99.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.742 174.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.592 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . 26.7 t80 -64.79 -42.58 94.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.225 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.1 -37.63 64.14 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.079 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.85 -33.52 75.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.882 -0.159 . . . . 0.0 111.426 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.426 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 6.3 ptp -82.97 -19.87 36.28 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.844 -177.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 103' ' ' PHE . 68.2 mt -78.23 -31.13 16.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 122.14 0.971 . . . . 0.0 109.147 176.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -92.44 -27.55 17.4 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.478 -174.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.657 -0.687 . . . . 0.0 110.941 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.261 0 N-CA-C 113.269 0.067 . . . . 0.0 113.269 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.7 mt -61.12 -33.36 55.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.418 0.628 . . . . 0.0 109.474 172.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.443 ' HB2' HD11 ' A' ' 12' ' ' ILE . 2.0 pt? -141.51 132.86 26.63 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.049 179.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -89.47 110.81 21.6 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -53.94 -31.28 49.87 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.301 -177.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.02 -41.68 77.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.818 176.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.56 -42.82 82.01 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 120.91 0.386 . . . . 0.0 110.823 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.443 HD11 ' HB2' ' A' ' 7' ' ' LEU . 1.7 mp -56.56 -49.58 77.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.799 175.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.6 m -61.77 -37.0 82.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.16 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.39 -56.34 23.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.592 0.234 . . . . 0.0 111.454 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.619 ' HB2' ' HG2' ' A' ' 33' ' ' LYS . . . -59.56 -40.62 87.91 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 178.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.416 HD13 ' HB1' ' A' ' 75' ' ' ALA . 71.3 mt -68.2 -32.45 72.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.313 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.492 ' HA ' ' NH1' ' A' ' 76' ' ' ARG . . . -69.53 -32.15 70.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.9 179.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.01 -3.88 44.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.399 0.619 . . . . 0.0 110.242 178.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.7 m -116.18 62.64 0.71 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.467 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 7.0 ttpm? -102.4 -26.19 13.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.103 0.478 . . . . 0.0 109.896 175.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.488 ' HB3' ' HB3' ' A' ' 24' ' ' SER . . . -70.44 127.41 32.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.939 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -62.4 119.97 10.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.838 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.69 2.12 67.57 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.48 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.488 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 32.9 t -126.39 58.15 1.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.271 0.558 . . . . 0.0 110.263 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.575 ' CD1' ' HG3' ' A' ' 82' ' ' GLU . 50.0 m-85 -102.39 103.79 14.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.202 176.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.595 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 7.8 m-20 -78.72 80.32 5.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.056 -177.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -62.99 -34.56 77.8 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.77 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.608 ' HG3' ' CE2' ' A' ' 31' ' ' PHE . 39.7 ttmt -71.34 -49.4 42.88 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.062 178.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.595 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . . . -53.3 -33.12 51.98 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.291 177.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.426 ' O ' HG22 ' A' ' 34' ' ' VAL . 76.6 t80 -60.66 -62.13 2.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.076 177.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.608 ' CE2' ' HG3' ' A' ' 28' ' ' LYS . 1.1 p90 -58.14 -35.39 71.44 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 121.177 0.513 . . . . 0.0 111.087 -176.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 28' ' ' LYS . 7.5 t -85.82 -21.85 27.9 Favored 'General case' 0 N--CA 1.431 -1.392 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.544 -171.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.619 ' HG2' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -88.02 -35.29 17.65 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.513 0.197 . . . . 0.0 111.328 177.107 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 30' ' ' PHE . 22.1 m -80.7 -6.9 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-O 120.975 0.417 . . . . 0.0 111.389 -178.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.94 13.05 72.85 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.77 177.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.484 ' O ' HG21 ' A' ' 107' ' ' ILE . 16.6 tp -81.67 11.36 4.83 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.367 0.603 . . . . 0.0 109.961 -178.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.13 -19.92 19.7 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.969 169.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.79 8.43 32.83 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.093 -177.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.475 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -56.21 160.96 2.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.344 -0.843 . . . . 0.0 112.55 177.736 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.0 m -97.11 159.76 30.6 Favored Pre-proline 0 C--N 1.318 -0.77 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 170.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.46 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 86.9 Cg_exo -43.66 -47.05 9.9 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.85 2.367 . . . . 0.0 113.647 -178.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.16 -29.68 70.98 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.686 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 68.7 m-20 -69.71 -42.48 73.96 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.423 HD11 ' HG2' ' A' ' 39' ' ' LYS . 14.1 mm -70.9 -23.14 23.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.856 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 41' ' ' PRO . 3.9 mmmp? -65.59 -45.99 81.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.073 0.464 . . . . 0.0 110.356 174.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.686 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -70.23 -21.13 63.03 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.515 176.853 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 43' ' ' ASP . 70.7 t -69.61 -34.75 62.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.124 173.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.571 ' HA ' HD11 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -52.82 -43.65 66.12 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 170.334 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -63.39 -27.04 69.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.935 178.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 47' ' ' VAL . 51.7 mt -71.36 -54.12 18.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.74 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -63.11 -37.55 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 C-N-CA 119.702 -0.799 . . . . 0.0 109.358 -178.394 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.466 ' HB2' HG22 ' A' ' 59' ' ' VAL . 20.0 t0 -83.84 72.57 10.39 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 120.114 -0.635 . . . . 0.0 109.47 178.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.556 ' HA ' HD22 ' A' ' 70' ' ' ASN . 5.8 tp-100 -51.44 -44.25 62.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.992 0.425 . . . . 0.0 111.038 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -80.59 -18.61 47.72 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.575 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 4.8 tppp? 58.77 67.67 0.9 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.477 0.656 . . . . 0.0 112.473 172.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.2 m -128.49 20.45 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.408 177.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.2 t70 73.28 -3.08 2.55 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.787 0.835 . . . . 0.0 111.304 177.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -120.75 134.34 55.29 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 173.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.74 HG11 ' HB ' ' A' ' 51' ' ' ILE . 6.5 t -123.64 86.38 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.424 -173.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -89.17 -175.87 4.93 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -176.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.54 -37.75 82.23 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.595 -174.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -55.41 -40.93 72.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.945 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.644 ' HB3' ' O ' ' A' ' 51' ' ' ILE . 1.4 mp0 -67.81 -40.7 83.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 177.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.453 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 4.1 mm? -65.69 -18.67 65.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.146 0.498 . . . . 0.0 111.156 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.489 ' O ' HD23 ' A' ' 68' ' ' LEU . 11.1 mptt -70.17 -49.64 48.4 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.514 175.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.522 HD22 ' NE2' ' A' ' 69' ' ' GLN . 33.2 mt -103.24 4.55 36.8 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -175.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.484 ' HD2' HG22 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -63.49 -23.62 67.47 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.511 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.727 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.0 mm? -61.41 -43.24 99.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.752 175.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.522 ' NE2' HD22 ' A' ' 66' ' ' LEU . 78.9 mt-30 -66.99 -17.55 64.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.057 178.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.556 HD22 ' HA ' ' A' ' 53' ' ' GLN . 47.6 t-20 -85.82 -38.7 17.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.88 175.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.453 ' CD2' HG21 ' A' ' 50' ' ' ILE . 1.9 t80 -62.09 -49.38 76.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.249 -174.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.2 p -132.34 -167.92 1.97 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.889 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.9 -43.87 34.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.069 0.462 . . . . 0.0 110.877 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -142.4 97.17 0.2 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.925 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.416 ' HB1' HD13 ' A' ' 16' ' ' LEU . . . -122.33 160.04 26.19 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.069 0.461 . . . . 0.0 111.115 -178.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.633 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 97.7 mtt180 -89.14 124.55 34.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.05 -176.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.479 ' HA ' HD23 ' A' ' 68' ' ' LEU . . . -63.27 129.98 42.6 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.847 178.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.401 ' HG ' HD21 ' A' ' 68' ' ' LEU . 14.1 mt -86.47 124.55 32.91 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.0 m -128.95 -176.21 3.79 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 64.56 -148.63 0.27 Allowed 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.508 0.505 . . . . 0.0 110.733 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.415 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -66.81 -17.49 64.91 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -174.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.575 ' HG3' ' CD1' ' A' ' 25' ' ' PHE . 6.5 mm-40 -61.56 -51.55 68.12 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -177.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.504 ' O ' ' HB2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -60.79 -38.34 85.01 Favored 'General case' 0 C--O 1.208 -1.079 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.979 178.611 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -62.21 -56.53 17.79 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -178.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 81' ' ' ALA . 8.4 p -69.5 -34.01 59.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.877 0.37 . . . . 0.0 111.213 -176.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -76.29 -31.64 58.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.896 0.379 . . . . 0.0 110.496 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.762 HD12 HG12 ' A' ' 98' ' ' ILE . 19.5 tp -69.57 -44.59 70.54 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 175.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.563 ' HA ' ' HB3' ' A' ' 91' ' ' ASP . 25.1 mmtm -69.78 -17.82 63.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.721 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.76 -27.2 66.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.032 0.444 . . . . 0.0 110.121 173.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -111.57 2.35 27.73 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.563 ' HB3' ' HA ' ' A' ' 88' ' ' LYS . 26.2 t0 -104.17 79.09 1.57 Allowed 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 171.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.1 m -91.63 -25.85 18.96 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.118 0.485 . . . . 0.0 110.373 -172.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -89.59 -3.14 58.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.325 176.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 70.34 44.7 58.36 Favored Glycine 0 C--N 1.331 0.256 0 CA-C-N 115.439 -0.801 . . . . 0.0 113.375 172.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -109.98 12.34 23.74 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.985 0.392 . . . . 0.0 111.244 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.79 29.18 39.66 Favored Glycine 0 C--N 1.334 0.421 0 N-CA-C 114.549 0.579 . . . . 0.0 114.549 166.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.557 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 8.7 ptpp? -160.07 178.55 9.57 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 117.225 0.512 . . . . 0.0 110.428 -176.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.762 HG12 HD12 ' A' ' 87' ' ' LEU . 23.5 mm -92.52 114.74 29.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.286 172.119 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -72.82 138.15 25.37 Favored Glycine 0 N--CA 1.437 -1.288 0 N-CA-C 108.859 -1.696 . . . . 0.0 108.859 167.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.9 m -58.45 -49.01 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.976 0 CA-C-N 117.471 0.636 . . . . 0.0 111.918 -174.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -80.07 -25.23 40.15 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.461 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -64.07 -33.69 76.34 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.852 173.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.5 ' CE2' HD11 ' A' ' 107' ' ' ILE . 52.0 t80 -67.82 -49.82 60.14 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.996 178.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -54.75 -39.83 69.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.387 -0.911 . . . . 0.0 111.489 175.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.01 -26.85 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.477 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 4.7 ptp -78.0 -28.39 49.23 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.305 0.574 . . . . 0.0 109.836 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.5 HD11 ' CE2' ' A' ' 103' ' ' PHE . 72.2 mt -77.65 -39.6 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.34 -178.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -80.37 -29.41 37.87 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 114.661 -1.154 . . . . 0.0 110.267 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.207 0 CA-C-O 118.578 -0.725 . . . . 0.0 111.886 177.898 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 CA-C-O 120.153 -0.248 . . . . 0.0 113.303 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.531 HG23 ' OD2' ' A' ' 43' ' ' ASP . 5.5 mm -53.49 -45.15 58.03 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.106 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 175.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.471 ' HB2' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -138.08 152.87 49.2 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 170.197 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -99.33 131.76 45.12 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.827 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -56.15 -28.7 59.03 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.456 174.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.87 -47.03 41.09 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.902 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.516 ' OD2' ' HA ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -72.51 -43.77 63.13 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.151 0.501 . . . . 0.0 110.635 -172.875 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.471 HD13 ' HB2' ' A' ' 7' ' ' LEU . 1.3 mp -60.73 -45.43 97.71 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.841 174.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.8 m -63.39 -30.59 71.7 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.286 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.65 -52.91 63.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.97 0.414 . . . . 0.0 110.315 177.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.6 -36.85 84.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.452 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.457 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 83.9 mt -74.91 -28.64 60.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.763 0.316 . . . . 0.0 111.44 -178.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.72 -18.59 60.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.167 0.508 . . . . 0.0 110.073 175.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.22 -37.0 66.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.914 175.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.457 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 26.5 p -88.96 18.85 4.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.139 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -71.4 -17.56 62.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.644 0.735 . . . . 0.0 109.196 173.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.59 145.52 30.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.281 172.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -72.32 137.77 46.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.685 0.279 . . . . 0.0 110.365 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.5 16.34 76.05 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.917 -0.658 . . . . 0.0 111.503 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.5 m -119.04 7.59 11.42 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -173.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -85.88 95.85 9.59 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 119.919 -0.713 . . . . 0.0 109.9 172.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.61 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 20.3 m-20 -86.37 98.14 10.82 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 171.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 -45.89 -34.42 3.85 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.583 0.706 . . . . 0.0 111.286 176.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.582 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . 62.5 tttm -73.51 -49.95 24.0 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.262 -178.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.61 ' HB3' ' HB2' ' A' ' 26' ' ' ASP . . . -57.64 -35.09 70.04 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.181 177.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.414 ' O ' HG22 ' A' ' 34' ' ' VAL . 77.9 t80 -59.6 -58.9 6.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.806 178.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.582 ' CE2' ' HA ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -62.56 -34.38 76.83 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.474 0.654 . . . . 0.0 111.131 -174.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.522 HG22 ' HA ' ' A' ' 29' ' ' ALA . 2.4 t -86.54 -19.42 29.49 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.233 -172.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 36.8 ttmt -86.63 -49.12 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.689 178.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.516 ' HA ' ' OD2' ' A' ' 11' ' ' ASP . 16.2 m -74.19 -23.51 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-O 120.87 0.367 . . . . 0.0 111.344 -177.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.415 ' O ' ' HG2' ' A' ' 39' ' ' LYS . . . 105.08 14.72 21.95 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.676 -0.773 . . . . 0.0 113.43 175.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.615 ' HA ' ' CG ' ' A' ' 39' ' ' LYS . 14.2 mt -66.43 -25.88 66.96 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -178.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.536 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . . . -64.0 -23.73 67.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.921 0.391 . . . . 0.0 110.603 177.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -107.67 -5.45 17.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.01 177.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.615 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 46.0 mmtt -63.9 145.55 55.63 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.489 0.661 . . . . 0.0 112.125 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.2 t -74.71 148.6 85.32 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.732 177.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.427 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 53.2 Cg_exo -53.61 -21.63 19.82 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.125 2.55 . . . . 0.0 112.832 176.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.04 -40.78 62.62 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.151 0.501 . . . . 0.0 110.727 177.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.778 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 6.9 t70 -70.96 -45.71 63.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.488 177.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.0 mt -60.55 -22.21 25.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.136 0.493 . . . . 0.0 110.525 174.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.505 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 40.9 tptt -74.42 -37.73 63.26 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 120.779 0.323 . . . . 0.0 110.647 177.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.778 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -73.28 -25.39 60.65 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.191 174.302 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 43' ' ' ASP . 61.5 t -67.78 -32.3 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.889 172.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.505 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -53.7 -47.98 69.99 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 170.183 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.75 -23.84 63.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.514 177.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.557 HG22 ' HD2' ' A' ' 67' ' ' PHE . 35.1 mt -76.18 -56.24 8.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 118.906 -0.569 . . . . 0.0 112.352 178.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.807 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -61.4 -34.64 62.07 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.605 ' CG ' ' HA ' ' A' ' 55' ' ' LYS . 9.7 t0 -83.14 74.38 10.0 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 174.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -53.07 -43.93 67.09 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.563 0.697 . . . . 0.0 110.411 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -84.41 -9.2 58.62 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.532 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.605 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 21.9 pttp 37.02 63.69 0.67 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.153 0.981 . . . . 0.0 113.61 177.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.7 p -125.54 33.01 5.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.269 176.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 78.46 -2.26 2.39 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 115.029 -0.987 . . . . 0.0 112.018 175.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -130.33 132.65 45.95 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.807 HG11 ' HB ' ' A' ' 51' ' ' ILE . 99.8 t -115.52 89.94 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.104 -174.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -93.13 169.21 10.58 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -174.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.55 -45.92 80.96 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -176.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -57.34 -24.79 57.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.971 -177.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -77.25 -45.38 26.6 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.696 175.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.563 ' HA ' ' HB3' ' A' ' 67' ' ' PHE . 1.0 OUTLIER -62.37 -16.02 52.16 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.578 -179.503 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -61.39 -56.11 23.93 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 120.501 -0.479 . . . . 0.0 111.004 172.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -102.35 4.54 39.11 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.563 ' HB3' ' HA ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -60.08 -24.15 64.37 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.112 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.648 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.3 mm? -63.6 -43.0 98.19 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.512 175.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -72.95 -11.31 60.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.713 0.768 . . . . 0.0 109.635 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.552 ' ND2' ' HA ' ' A' ' 50' ' ' ILE . 63.4 t30 -91.0 -17.8 25.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.432 173.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.472 ' CD2' HG21 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -86.54 -43.98 12.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.469 178.534 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.5 p -153.59 174.89 13.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.935 -178.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.51 -44.56 11.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.889 0.376 . . . . 0.0 111.258 -178.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -93.14 54.56 2.51 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.135 -177.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.597 ' HB1' ' HB3' ' A' ' 68' ' ' LEU . . . -106.38 166.36 10.59 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.954 0.407 . . . . 0.0 111.615 -175.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.542 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 29.7 mmm180 -114.94 140.07 49.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.161 -178.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.33 121.55 23.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.822 0.344 . . . . 0.0 110.638 179.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.8 mp -68.95 113.85 6.72 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.024 176.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.5 t -118.68 143.53 46.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.793 0.33 . . . . 0.0 110.698 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 65.82 -112.05 0.22 Allowed 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.825 173.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.25 -33.58 73.47 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.554 -171.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.89 -47.74 82.0 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.484 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -62.44 -55.56 26.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.463 179.011 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -55.93 -55.48 32.13 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -175.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.6 t -70.18 -36.45 67.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.539 -173.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -70.09 -34.97 73.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.282 176.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.511 ' HA ' HD11 ' A' ' 98' ' ' ILE . 81.7 mt -64.21 -52.04 60.77 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 173.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -63.3 -16.39 60.18 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -176.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.18 -28.68 66.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.092 0.473 . . . . 0.0 110.485 172.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -119.89 -41.09 0.57 Allowed Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.926 177.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -58.99 102.53 0.12 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.376 0.607 . . . . 0.0 110.553 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.6 m -98.3 -5.88 32.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.899 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.34 -25.72 18.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.308 -176.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.12 24.95 56.56 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.26 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.613 ' OD2' ' HG2' ' A' ' 97' ' ' LYS . 17.4 p-10 -104.94 -4.03 22.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.722 0.296 . . . . 0.0 111.307 -174.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.47 28.32 48.38 Favored Glycine 0 CA--C 1.517 0.195 0 C-N-CA 120.705 -0.759 . . . . 0.0 113.767 172.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.649 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 5.4 ptpp? -130.01 169.67 14.96 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.142 0.496 . . . . 0.0 109.905 176.115 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.611 ' O ' ' HB ' ' A' ' 59' ' ' VAL . 24.8 mm -116.1 104.94 17.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.005 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.702 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -68.12 138.27 32.6 Favored Glycine 0 N--CA 1.432 -1.576 0 N-CA-C 108.148 -1.981 . . . . 0.0 108.148 163.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.44 HG21 ' CD1' ' A' ' 48' ' ' PHE . 82.3 t -60.16 -37.62 73.97 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 CA-C-N 117.602 0.701 . . . . 0.0 110.938 -176.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.52 -38.87 88.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.178 173.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.91 -36.42 84.32 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.169 175.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.522 ' O ' ' HG2' ' A' ' 106' ' ' MET . 35.2 t80 -69.43 -46.98 65.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.46 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.4 -34.78 76.38 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.786 177.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.4 -36.74 79.55 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.522 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 10.8 ptp -72.77 -24.9 61.01 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.047 0.451 . . . . 0.0 110.35 -178.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.469 HD11 ' CE2' ' A' ' 103' ' ' PHE . 81.1 mt -80.59 -32.99 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 122.131 0.967 . . . . 0.0 109.763 177.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -95.74 7.78 45.35 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.492 -1.231 . . . . 0.0 110.288 -176.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.245 177.505 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.661 -0.176 . . . . 0.0 112.661 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.4 mt -62.44 -28.73 45.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 121.747 0.784 . . . . 0.0 109.289 174.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -137.4 149.19 46.75 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.858 176.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.41 ' N ' HD22 ' A' ' 8' ' ' ASN . 0.9 OUTLIER -101.06 114.69 28.86 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 170.36 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -53.77 -34.67 59.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.122 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.49 -36.6 84.73 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.561 177.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.425 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 32.1 m-20 -68.92 -47.73 65.03 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 120.964 0.411 . . . . 0.0 110.99 -178.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.504 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.9 mp -59.3 -53.34 49.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.858 177.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.0 m -54.66 -35.34 63.41 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.501 177.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.68 94.3 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.28 99.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.061 176.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 12' ' ' ILE . 4.6 mm? -62.16 -35.39 78.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.799 176.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.08 -33.11 75.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.897 0.379 . . . . 0.0 111.092 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.83 -10.73 54.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.066 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.538 ' HB3' ' CD1' ' A' ' 25' ' ' PHE . 87.1 m -129.91 29.87 4.91 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.541 -174.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -90.32 2.55 55.4 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.99 0.424 . . . . 0.0 111.307 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.4 133.1 37.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.105 175.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -61.9 126.5 27.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.251 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.401 ' H ' ' CD ' ' A' ' 82' ' ' GLU . . . 80.58 15.01 79.03 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.049 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.9 m -130.29 17.04 5.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.706 0.289 . . . . 0.0 111.322 -178.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.538 ' CD1' ' HB3' ' A' ' 19' ' ' CYS . 25.4 t80 -76.37 124.68 27.9 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 176.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -109.05 94.8 5.24 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.372 -0.531 . . . . 0.0 109.641 172.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.4 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 5.8 p-80 -55.29 -26.05 37.89 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.876 -178.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.551 ' HG3' ' CE2' ' A' ' 31' ' ' PHE . 29.9 ttpp -72.88 -50.94 20.75 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.407 ' HA ' HG22 ' A' ' 32' ' ' THR . . . -52.3 -38.99 59.95 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.93 174.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.4 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 91.7 t80 -54.33 -56.04 22.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.434 178.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.551 ' CE2' ' HG3' ' A' ' 28' ' ' LYS . 1.9 p90 -66.59 -37.54 85.13 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.294 0.568 . . . . 0.0 111.449 -175.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.504 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 8.6 t -86.34 -20.75 27.85 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.941 -169.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -83.68 -37.44 22.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.974 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.458 ' CG2' ' HB2' ' A' ' 36' ' ' LEU . 10.6 m -85.66 -11.6 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.396 -178.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.464 ' O ' ' HE2' ' A' ' 39' ' ' LYS . . . 83.89 28.61 34.16 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.213 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.458 ' HB2' ' CG2' ' A' ' 34' ' ' VAL . 12.6 tp -81.24 -17.02 50.97 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.649 -0.324 . . . . 0.0 110.918 -174.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.526 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . . . -79.9 -7.81 58.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.727 0.299 . . . . 0.0 111.473 -176.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -111.22 30.38 6.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.035 0.445 . . . . 0.0 110.625 177.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.464 ' HE2' ' O ' ' A' ' 35' ' ' GLY . 71.3 mmtt -95.72 134.19 38.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.829 -179.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.9 m -73.51 160.15 83.0 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.902 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_exo -43.7 -46.03 10.58 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.864 2.376 . . . . 0.0 113.202 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.87 -44.93 96.39 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.833 0.349 . . . . 0.0 111.614 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.704 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 5.2 m-20 -64.64 -44.58 90.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.376 0.608 . . . . 0.0 109.439 178.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.4 mm -64.64 -29.52 47.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.235 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 21.6 tptm -65.0 -42.12 94.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.083 0.468 . . . . 0.0 110.508 178.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.704 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -71.79 -25.63 62.09 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.782 -0.767 . . . . 0.0 109.27 177.021 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.761 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 96.2 t -68.44 -31.38 51.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.839 173.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.672 ' HA ' HD11 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -54.16 -45.33 72.01 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 169.543 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.31 -24.89 65.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.719 177.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.761 ' HB ' ' O ' ' A' ' 47' ' ' VAL . 0.3 OUTLIER -63.92 -54.6 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.686 174.459 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.792 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -70.56 -28.7 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.694 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -81.44 65.99 6.8 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 174.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.06 -31.59 71.35 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.459 0.647 . . . . 0.0 110.509 -172.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.4 ' HB3' ' OE2' ' A' ' 63' ' ' GLU . 6.5 t70 -85.49 -11.28 54.63 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.214 177.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt 57.16 64.93 1.49 Allowed 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 167.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.0 m -138.75 25.96 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.026 -178.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 72.79 -2.66 2.61 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.284 0.633 . . . . 0.0 112.102 176.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -131.67 135.85 47.23 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 175.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.792 HG11 ' HB ' ' A' ' 51' ' ' ILE . 87.4 t -111.19 92.67 2.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.387 -171.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.498 ' O ' ' HB3' ' A' ' 63' ' ' GLU . 42.6 mt-10 -93.0 164.92 13.1 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -172.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -57.96 -53.75 54.71 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.58 -19.34 62.07 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.133 0.492 . . . . 0.0 110.511 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.62 ' OE1' ' HA ' ' A' ' 59' ' ' VAL . 32.8 tt0 -81.51 -43.14 19.21 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.507 176.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.564 ' O ' ' HD2' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -59.88 -20.0 54.6 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.277 175.647 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -53.56 -45.62 69.94 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.279 178.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.556 HD12 HE21 ' A' ' 69' ' ' GLN . 1.3 mm? -102.59 4.37 38.31 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.564 ' HD2' ' O ' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -61.7 -24.56 66.85 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.678 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.676 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.1 mm? -61.95 -51.11 69.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.051 177.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.556 HE21 HD12 ' A' ' 66' ' ' LEU . 35.5 mt-30 -68.11 -14.96 63.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.009 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -83.03 -38.79 22.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.402 176.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.57 -46.65 72.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.861 178.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.1 m -154.9 145.24 22.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.766 178.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.36 -13.91 62.35 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -174.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -111.42 29.35 8.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.342 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.43 139.63 35.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.848 0.356 . . . . 0.0 110.809 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.574 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 25.9 mmm180 -84.59 136.86 33.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.832 -176.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.435 ' HA ' HD23 ' A' ' 68' ' ' LEU . . . -67.64 118.65 11.2 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.99 0.424 . . . . 0.0 111.023 178.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.423 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 73.3 mt -69.54 130.42 42.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.496 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.446 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 14.4 m -129.38 155.83 45.03 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.984 -178.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 53.68 -112.0 0.66 Allowed 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 176.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.572 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -71.52 -34.14 69.82 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.749 -168.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 79' ' ' SER . 1.1 mm-40 -59.16 -53.26 60.34 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 -177.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.631 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 2.2 m -60.13 -44.13 95.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.106 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -55.91 -61.74 2.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.868 -177.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.572 HG12 ' O ' ' A' ' 81' ' ' ALA . 7.1 p -69.84 -29.82 42.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.917 0.389 . . . . 0.0 110.902 -175.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -64.67 -43.41 93.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.915 176.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.659 ' HA ' HD11 ' A' ' 98' ' ' ILE . 98.1 mt -65.19 -40.02 93.67 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.197 176.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -63.26 -25.43 68.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.112 -176.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.98 -28.46 69.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.102 0.477 . . . . 0.0 110.508 176.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.403 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -111.27 -66.83 0.53 Allowed Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.441 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.602 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 30.8 t70 -63.19 110.66 1.93 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.272 0.558 . . . . 0.0 110.632 -177.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.5 m -98.3 -4.45 35.05 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.21 -175.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.497 ' HB2' ' HB2' ' A' ' 95' ' ' ASP . 0.3 OUTLIER -91.77 -25.77 18.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.96 -173.79 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.43 40.68 12.65 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 -169.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.497 ' HB2' ' HB2' ' A' ' 93' ' ' ASP . 11.5 t0 -98.12 -0.59 44.1 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.43 -0.885 . . . . 0.0 111.248 -168.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.64 29.65 69.41 Favored Glycine 0 C--N 1.336 0.555 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.763 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.655 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 4.4 ptpp? -157.56 178.67 10.02 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 121.022 0.439 . . . . 0.0 110.329 -172.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.659 HD11 ' HA ' ' A' ' 87' ' ' LEU . 14.3 mm -114.57 109.29 27.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.301 169.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.76 137.13 46.54 Favored Glycine 0 N--CA 1.433 -1.538 0 N-CA-C 108.803 -1.719 . . . . 0.0 108.803 167.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.0 m -58.41 -39.91 76.37 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-O 121.287 0.565 . . . . 0.0 112.153 -174.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -80.96 -20.27 42.32 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.659 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.515 ' CD ' ' HA ' ' A' ' 91' ' ' ASP . 35.8 mt-10 -71.39 -33.57 69.61 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.789 173.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.574 ' CE2' HD11 ' A' ' 107' ' ' ILE . 26.6 t80 -69.6 -50.64 42.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.174 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.82 -34.72 65.58 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.566 176.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.88 -42.63 90.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.681 -0.259 . . . . 0.0 111.445 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 9.7 ptp -67.58 -27.35 66.85 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.082 0.468 . . . . 0.0 110.763 -178.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.574 HD11 ' CE2' ' A' ' 103' ' ' PHE . 99.3 mt -79.16 -34.15 16.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.784 0.802 . . . . 0.0 110.285 -177.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.9 tmmm? -87.28 -9.87 53.85 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.455 -176.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.659 -0.686 . . . . 0.0 110.969 179.128 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.181 0 N-CA-C 113.158 0.023 . . . . 0.0 113.158 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.509 HG23 ' OD2' ' A' ' 43' ' ' ASP . 35.5 mm -70.05 -29.88 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 171.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.482 ' HG ' ' CE1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -146.43 140.18 26.1 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.672 176.496 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.26 116.18 32.21 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 172.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -51.12 -37.62 47.12 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.898 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.35 -49.68 74.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.523 179.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -64.25 -48.53 75.41 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.22 0.534 . . . . 0.0 111.104 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.63 -48.54 85.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.395 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.4 m -60.56 -37.47 81.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.331 178.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.18 -55.48 34.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.76 -177.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.477 ' HB2' ' CD ' ' A' ' 33' ' ' LYS . . . -64.94 -36.34 84.09 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.49 -41.49 93.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 111.135 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.83 -21.54 57.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.024 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.63 -29.31 66.77 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.508 0.671 . . . . 0.0 109.898 177.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.559 ' HB3' ' HA ' ' A' ' 25' ' ' PHE . 20.2 m -104.72 50.95 0.78 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.731 -176.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -77.04 54.91 1.08 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 121.119 0.485 . . . . 0.0 111.129 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.414 ' HB3' ' HB2' ' A' ' 24' ' ' SER . . . -153.12 136.18 15.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.388 -178.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -63.0 135.33 57.23 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.26 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.81 0.18 24.51 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.807 -0.633 . . . . 0.0 113.379 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.414 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 38.9 m -119.49 46.53 1.89 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.062 0.458 . . . . 0.0 111.102 -175.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.559 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 28.2 m-85 -95.98 113.69 25.33 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.343 176.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -74.61 85.67 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.496 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -60.0 -29.53 68.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.626 0.727 . . . . 0.0 110.016 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.559 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . 42.7 tttp -74.47 -52.67 11.34 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.918 -177.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.488 ' O ' ' HB3' ' A' ' 33' ' ' LYS . . . -55.11 -34.8 63.99 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.637 177.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -62.28 -57.11 12.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.075 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.559 ' CE2' ' HA ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -60.56 -36.08 77.6 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.58 0.705 . . . . 0.0 110.875 -175.83 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.44 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 5.4 t -86.31 -21.25 27.4 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.561 -170.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.532 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -87.03 -31.22 20.66 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 121.277 -0.169 . . . . 0.0 111.112 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.532 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 15.7 m -91.51 -8.29 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -176.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.28 27.82 32.23 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.087 -178.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.431 ' HB2' ' CG2' ' A' ' 34' ' ' VAL . 14.9 tp -83.28 -16.92 44.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.927 0.394 . . . . 0.0 110.933 -175.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.469 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . . . -81.97 -5.23 58.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.076 0.465 . . . . 0.0 111.096 -178.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.76 38.01 3.44 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.165 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.468 ' HD2' ' CG ' ' A' ' 43' ' ' ASP . 62.3 mmtt -97.18 141.6 30.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.583 0.706 . . . . 0.0 112.357 -175.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 m -81.74 157.2 69.78 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.699 175.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_exo -44.99 -46.84 12.68 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.136 2.557 . . . . 0.0 113.862 -177.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.21 -29.75 70.84 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.875 0.369 . . . . 0.0 111.767 -177.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.683 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 11.1 t0 -75.9 -47.67 24.42 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.8 mm -62.73 -22.88 31.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.261 175.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.611 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 22.0 tptm -68.71 -42.33 77.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.986 0.422 . . . . 0.0 110.632 175.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.697 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -71.34 -26.49 62.85 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.397 -0.921 . . . . 0.0 109.147 175.275 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.733 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 86.8 t -65.54 -34.2 68.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.99 172.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.611 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -50.53 -47.4 57.59 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 169.091 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -62.07 -23.07 66.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.261 178.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.733 ' HB ' ' O ' ' A' ' 47' ' ' VAL . 0.3 OUTLIER -65.26 -59.3 4.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 176.764 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.869 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -71.53 -31.45 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 -178.205 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.608 ' CG ' ' HA ' ' A' ' 55' ' ' LYS . 10.9 t0 -82.06 74.86 9.02 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 177.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.645 ' OE1' ' HB2' ' A' ' 70' ' ' ASN . 50.2 tp60 -50.0 -47.03 53.18 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.924 0.869 . . . . 0.0 110.75 178.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.491 ' HB3' ' OE2' ' A' ' 63' ' ' GLU . 17.7 t70 -84.9 -8.71 58.66 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.965 -179.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.608 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 12.5 ptmm? 41.17 65.7 0.78 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 173.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.7 m -124.12 30.18 6.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.403 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 69.41 8.91 7.04 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.216 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -143.91 127.08 16.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.433 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.869 HG11 ' HB ' ' A' ' 51' ' ' ILE . 57.6 t -112.22 100.73 11.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.611 -172.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -93.48 174.11 7.36 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.61 0.226 . . . . 0.0 111.61 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -64.06 -36.83 85.28 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.612 0.244 . . . . 0.0 111.135 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -50.95 -30.21 14.28 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.429 0.633 . . . . 0.0 110.397 176.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.554 ' O ' ' HB3' ' A' ' 67' ' ' PHE . 44.0 mt-10 -86.2 -40.52 15.52 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.017 -177.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.723 ' HG ' HD21 ' A' ' 87' ' ' LEU . 4.5 mm? -58.33 -18.19 25.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.883 0.373 . . . . 0.0 111.074 176.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.474 ' O ' HD23 ' A' ' 68' ' ' LEU . 23.0 mmtp -67.15 -58.78 4.23 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.833 177.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -102.29 4.66 39.39 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -176.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.554 ' HB3' ' O ' ' A' ' 63' ' ' GLU . 0.8 OUTLIER -57.68 -24.95 59.37 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.261 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 2.8 mm? -59.57 -55.88 28.98 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.31 176.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -60.97 -21.47 63.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.103 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.645 ' HB2' ' OE1' ' A' ' 53' ' ' GLN . 35.9 t30 -74.76 -38.97 62.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.18 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.58 ' CD1' HG13 ' A' ' 50' ' ' ILE . 5.1 t80 -84.72 -42.02 15.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.279 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.9 m -152.57 135.65 15.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.17 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.44 -22.31 62.72 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -172.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -100.57 26.3 25.09 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.3 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.509 ' CB ' ' HB3' ' A' ' 68' ' ' LEU . . . -91.88 154.5 18.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.897 0.379 . . . . 0.0 110.928 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.695 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 29.2 mmm180 -95.38 127.14 41.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.725 -175.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.55 131.2 47.32 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.026 0.441 . . . . 0.0 110.508 178.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.465 ' HG ' HD21 ' A' ' 68' ' ' LEU . 59.3 mt -82.15 117.95 22.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.851 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.7 p -123.75 130.49 52.72 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -175.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.23 -92.88 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.649 175.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.04 -45.29 27.68 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -169.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.8 pm0 -69.34 -31.31 69.67 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.946 -178.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -42.73 85.57 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 173.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -60.4 -54.1 49.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.106 -177.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 48.8 t -66.95 -43.74 89.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.866 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -61.02 -41.38 96.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.011 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.723 HD21 ' HG ' ' A' ' 64' ' ' LEU . 65.2 mt -62.46 -54.06 45.69 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 176.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -63.46 -17.42 62.7 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -176.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.27 -34.56 72.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.001 0.429 . . . . 0.0 110.109 175.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.412 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -114.74 -48.84 0.53 Allowed Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.808 179.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 27.2 t70 -60.95 102.11 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 178.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.8 p -96.51 -21.56 17.63 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.89 0.376 . . . . 0.0 110.637 -174.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -84.06 -6.59 59.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.361 0.601 . . . . 0.0 110.774 -179.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 67.34 48.55 57.58 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.263 -0.881 . . . . 0.0 113.54 171.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.597 ' OD2' ' HB3' ' A' ' 97' ' ' LYS . 2.5 p-10 -109.16 -9.07 15.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.817 0.341 . . . . 0.0 110.472 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.97 28.81 17.04 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.215 176.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.597 ' HB3' ' OD2' ' A' ' 95' ' ' ASP . 0.0 OUTLIER -138.68 146.94 42.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.154 0.502 . . . . 0.0 110.235 -175.484 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.539 ' O ' ' HB ' ' A' ' 59' ' ' VAL . 26.2 mm -93.02 98.48 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.279 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.83 175.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -63.66 139.84 43.76 Favored Glycine 0 N--CA 1.435 -1.41 0 N-CA-C 108.118 -1.993 . . . . 0.0 108.118 165.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.487 HG21 ' CD1' ' A' ' 48' ' ' PHE . 92.4 t -63.23 -40.17 88.03 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.286 0 CA-C-N 117.719 0.759 . . . . 0.0 110.84 -175.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -68.31 -33.25 73.98 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.155 173.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 99' ' ' GLY . 11.3 mm-40 -61.13 -44.03 97.96 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.354 0.597 . . . . 0.0 109.658 173.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.486 ' CE2' HD11 ' A' ' 107' ' ' ILE . 26.0 t80 -64.78 -44.52 89.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.354 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.38 -31.86 63.36 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.187 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.39 -41.63 80.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.878 -0.161 . . . . 0.0 110.996 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.6 ptp -71.64 -19.3 62.12 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.939 0.4 . . . . 0.0 110.578 -178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.486 HD11 ' CE2' ' A' ' 103' ' ' PHE . 83.7 mt -82.32 -33.51 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.724 0.773 . . . . 0.0 109.926 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.9 tmmm? -90.37 -21.69 21.85 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.646 -176.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.73 -0.652 . . . . 0.0 110.718 179.539 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.675 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.476 HG23 ' OD2' ' A' ' 43' ' ' ASP . 34.9 mm -62.03 -32.29 53.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-O 121.51 0.671 . . . . 0.0 109.234 175.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.474 ' O ' HD12 ' A' ' 7' ' ' LEU . 3.7 pp -145.48 150.57 36.71 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.875 169.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -100.27 107.82 19.73 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 172.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -47.32 -37.84 11.66 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.936 -176.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.85 -49.25 73.51 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.363 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.12 -38.61 72.3 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 120.902 0.382 . . . . 0.0 111.443 -177.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.44 ' CD1' ' HB2' ' A' ' 7' ' ' LEU . 1.7 mp -62.48 -46.15 97.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.868 176.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 54.3 m -64.4 -37.54 87.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.185 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.73 -46.67 88.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.724 0.297 . . . . 0.0 111.095 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.65 -40.34 80.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.046 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.1 mt -65.86 -41.09 92.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.217 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.67 -24.98 58.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.936 0.398 . . . . 0.0 111.122 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.34 -15.47 61.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.079 0.466 . . . . 0.0 110.309 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 55.4 m -115.91 18.86 15.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.27 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.449 ' HA ' ' CZ ' ' A' ' 76' ' ' ARG . 40.6 ttmt -64.02 -34.36 77.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.118 -174.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.97 132.72 34.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.543 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.58 114.65 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.327 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.49 -15.5 29.69 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.464 -175.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.6 t -96.98 19.75 12.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.203 0.525 . . . . 0.0 110.065 178.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -81.0 129.69 34.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.479 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.465 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 21.6 m-20 -123.91 90.53 3.29 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.542 175.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.429 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 36.4 t60 -46.53 -54.9 8.43 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.317 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.563 ' O ' HG22 ' A' ' 32' ' ' THR . 87.7 tttt -72.17 -46.32 56.84 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.438 -173.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . . . -58.13 -33.74 69.48 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.488 177.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.634 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 90.1 t80 -55.7 -60.37 3.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.616 176.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.444 ' CE1' HG12 ' A' ' 107' ' ' ILE . 81.3 m-85 -67.23 -36.65 82.11 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -174.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 28' ' ' LYS . 10.2 t -76.34 -32.02 58.44 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.615 -178.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -80.86 -35.17 33.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.204 0.526 . . . . 0.0 110.174 178.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.634 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -74.92 -23.04 17.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.742 -178.288 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.92 26.72 30.86 Favored Glycine 0 C--N 1.333 0.37 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.439 177.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.529 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 11.7 tp -92.57 -12.71 31.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.854 0.359 . . . . 0.0 111.249 -175.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.04 -24.68 59.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.879 0.371 . . . . 0.0 111.667 -175.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.05 32.28 4.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.072 0.463 . . . . 0.0 111.164 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.523 ' HG3' HD12 ' A' ' 36' ' ' LEU . 69.8 mmtt -88.54 140.21 29.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.198 0.523 . . . . 0.0 111.96 -178.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.1 m -80.69 158.57 70.72 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.105 177.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -43.51 -45.27 10.56 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.356 2.704 . . . . 0.0 114.052 -177.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.14 84.64 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.553 ' O ' HG23 ' A' ' 47' ' ' VAL . 12.1 t0 -72.53 -47.35 49.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -178.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' A' ' 44' ' ' ILE . 10.5 mm -62.95 -22.69 31.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.056 0.455 . . . . 0.0 110.868 178.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.403 ' HD2' ' HA ' ' A' ' 45' ' ' LYS . 21.3 tptm -69.06 -48.19 63.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.885 0.374 . . . . 0.0 110.405 176.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.701 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -67.09 -25.48 66.24 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.425 -0.91 . . . . 0.0 109.165 175.62 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.666 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 71.2 t -65.6 -35.04 74.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.449 173.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.527 ' HB2' ' CG1' ' A' ' 100' ' ' VAL . 0.0 OUTLIER -52.57 -42.19 64.25 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.241 0.544 . . . . 0.0 109.54 170.412 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -72.67 -16.73 61.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.228 178.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.701 HD13 ' O ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -66.74 -50.69 63.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.832 -0.167 . . . . 0.0 111.336 175.305 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.807 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -73.15 -27.91 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.671 179.14 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -87.55 66.89 9.17 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 174.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -58.89 -33.15 70.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.095 0.474 . . . . 0.0 111.285 -175.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -78.46 -19.67 52.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.083 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt 56.83 63.29 1.98 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.417 0.627 . . . . 0.0 110.526 -173.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 55.7 p -124.78 5.2 8.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.361 -173.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 56' ' ' SER . 24.6 m-20 76.06 -0.73 3.08 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.315 0.646 . . . . 0.0 111.259 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -129.76 130.43 45.38 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 172.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.821 ' HA ' ' OE1' ' A' ' 63' ' ' GLU . 79.7 t -111.74 91.82 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.373 -173.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' A' ' 63' ' ' GLU . 46.4 mt-10 -93.6 166.14 12.39 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -177.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -62.55 -40.58 97.28 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 111.3 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.04 -22.01 60.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.28 0.562 . . . . 0.0 110.695 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.821 ' OE1' ' HA ' ' A' ' 59' ' ' VAL . 38.1 tt0 -88.48 -39.35 14.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.192 177.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.561 ' O ' ' HD2' ' A' ' 67' ' ' PHE . 0.5 OUTLIER -61.09 -18.95 60.68 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-O 121.152 0.501 . . . . 0.0 110.85 175.148 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.44 ' HE3' ' OG ' ' A' ' 79' ' ' SER . 12.7 mptt -56.58 -48.36 77.55 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.97 174.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.426 HD22 ' HB3' ' A' ' 65' ' ' LYS . 1.8 mm? -103.0 4.93 37.9 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -177.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.575 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 0.3 OUTLIER -62.44 -24.63 67.54 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.486 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.736 HD22 ' H ' ' A' ' 68' ' ' LEU . 1.7 mm? -63.35 -46.7 85.37 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.675 177.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -66.01 -18.45 65.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.109 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -83.45 -41.39 18.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.009 178.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -72.39 -34.27 67.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.992 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.0 m -153.98 125.29 7.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.308 174.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.47 -32.08 68.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.808 -170.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -103.7 26.27 23.94 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.348 -0.929 . . . . 0.0 112.926 -178.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.46 156.77 21.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.066 0.46 . . . . 0.0 111.102 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.449 ' CZ ' ' HA ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -90.58 140.41 29.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.251 -179.023 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.03 139.24 41.36 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.055 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.464 ' HG ' HD21 ' A' ' 68' ' ' LEU . 12.8 mt -95.76 113.43 25.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.903 -179.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.44 ' OG ' ' HE3' ' A' ' 65' ' ' LYS . 50.6 m -145.56 86.82 1.76 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.265 0.555 . . . . 0.0 111.244 177.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -178.47 -154.24 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.82 -16.27 62.88 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 120.964 0.412 . . . . 0.0 110.42 177.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -73.63 -41.9 62.16 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.147 -173.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.84 -46.29 85.7 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.897 176.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -58.76 -56.78 17.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.689 -175.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 77.8 t -63.61 -46.13 95.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.015 0.436 . . . . 0.0 111.319 -177.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -64.88 -35.01 79.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.949 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.8 tp -70.05 -45.57 66.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.092 176.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.574 ' NZ ' ' HA2' ' A' ' 94' ' ' GLY . 73.4 mmtt -64.8 -17.11 63.92 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.916 -178.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.71 -26.35 63.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.22 0.533 . . . . 0.0 110.081 173.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -113.11 -51.1 0.52 Allowed Glycine 0 N--CA 1.443 -0.835 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.387 175.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -60.28 93.35 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.126 0.489 . . . . 0.0 110.468 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.7 m -99.94 -7.08 25.63 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.258 0.551 . . . . 0.0 110.296 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -86.85 -24.21 25.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.973 -176.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.574 ' HA2' ' NZ ' ' A' ' 88' ' ' LYS . . . 79.92 20.27 68.33 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.951 -178.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -100.43 -6.49 25.54 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -175.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 91.78 30.93 9.79 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 120.138 -1.029 . . . . 0.0 113.254 170.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 20.2 ptmt -147.08 169.33 19.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.552 0.691 . . . . 0.0 111.08 -174.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.538 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 31.7 mm -118.97 107.34 21.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.282 178.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -65.51 141.11 41.98 Favored Glycine 0 N--CA 1.434 -1.436 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 164.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.527 ' CG1' ' HB2' ' A' ' 48' ' ' PHE . 83.4 t -59.49 -40.2 81.23 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 CA-C-N 117.591 0.696 . . . . 0.0 111.136 -175.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -64.06 -30.5 71.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.654 174.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -68.49 -37.29 79.98 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.156 0.503 . . . . 0.0 109.688 175.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.598 ' O ' HG13 ' A' ' 107' ' ' ILE . 26.8 t80 -71.5 -47.32 56.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.249 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.78 -39.8 78.22 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.613 177.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.16 -34.43 78.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.73 -0.235 . . . . 0.0 111.163 177.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.44 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 4.9 ptp -80.38 -18.69 48.23 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-O 120.913 0.387 . . . . 0.0 110.655 -178.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.598 HG13 ' O ' ' A' ' 103' ' ' PHE . 78.5 mt -75.58 -32.02 24.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.897 0.856 . . . . 0.0 108.871 176.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -87.78 -30.65 20.1 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.404 -1.271 . . . . 0.0 110.915 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.347 -0.835 . . . . 0.0 110.515 178.495 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.206 0 CA-C-O 120.332 -0.149 . . . . 0.0 113.363 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.9 mt -53.82 -42.76 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.545 0.688 . . . . 0.0 109.894 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.472 ' HB2' HD11 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -144.16 136.86 26.99 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.147 -0.933 . . . . 0.0 108.989 174.056 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -98.73 130.94 45.22 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -48.02 -49.33 31.45 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.696 0.76 . . . . 0.0 109.621 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.58 -46.64 83.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.301 -1.318 . . . . 0.0 112.16 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.17 -46.13 82.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.951 0.405 . . . . 0.0 111.483 -175.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.472 HD11 ' HB2' ' A' ' 7' ' ' LEU . 1.8 mp -63.9 -45.98 95.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.283 178.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.4 m -60.15 -35.68 75.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.01 178.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.11 94.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.299 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.32 -40.54 74.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.033 0.444 . . . . 0.0 110.203 178.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.419 HD13 ' HB1' ' A' ' 75' ' ' ALA . 45.5 mt -65.29 -23.65 67.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.209 178.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.36 -27.6 25.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.876 177.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.44 -43.28 70.2 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 121.423 0.63 . . . . 0.0 110.322 -177.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.49 ' HB2' ' HA ' ' A' ' 25' ' ' PHE . 21.6 p -122.41 58.07 1.07 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.168 -179.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -81.36 -11.01 59.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.078 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' ' 24' ' ' SER . . . -73.78 117.9 16.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -62.69 120.43 11.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.02 6.11 56.07 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 -176.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.448 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 36.9 m -141.65 23.48 2.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.883 0.373 . . . . 0.0 110.474 178.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.49 ' HA ' ' HB2' ' A' ' 19' ' ' CYS . 54.4 t80 -69.27 126.58 30.2 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.454 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 4.0 t70 -108.66 84.93 2.01 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.45 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 5.6 p80 -54.63 -32.23 58.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.302 -176.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.513 ' O ' HG22 ' A' ' 32' ' ' THR . 73.0 tttt -78.09 -42.26 32.67 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.522 -176.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.454 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . . . -56.88 -36.87 70.59 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 174.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.45 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 65.2 t80 -55.47 -55.13 35.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.397 175.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.421 ' CD2' ' HA ' ' A' ' 107' ' ' ILE . 24.6 m-85 -62.28 -46.99 86.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.908 -176.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.513 HG22 ' O ' ' A' ' 28' ' ' LYS . 7.6 t -71.46 -21.73 61.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.82 0.343 . . . . 0.0 111.59 -177.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 81.9 tttt -84.39 -44.1 14.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.694 0.283 . . . . 0.0 111.124 -178.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.5 m -76.27 -15.95 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 CA-C-O 120.842 0.353 . . . . 0.0 111.327 -178.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.65 17.98 29.2 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.576 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.452 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 14.9 tp -91.51 8.27 37.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.882 0.372 . . . . 0.0 111.232 -175.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.8 -24.87 16.88 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.146 0.498 . . . . 0.0 109.745 171.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -112.35 27.54 9.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.99 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -74.65 177.82 5.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.391 179.552 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.417 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 21.1 m -113.69 164.73 15.11 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.052 173.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 40' ' ' SER . 91.2 Cg_exo -45.13 -46.31 13.63 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.162 2.575 . . . . 0.0 114.361 -177.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.71 -34.08 77.47 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.718 0.294 . . . . 0.0 111.723 -176.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.6 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 4.6 m-20 -62.72 -57.68 10.12 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.733 0.778 . . . . 0.0 109.697 -178.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.438 HD12 ' HE2' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -67.84 -26.59 35.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.774 -176.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 43.3 tptt -61.96 -45.95 91.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.01 0.433 . . . . 0.0 110.396 179.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.6 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -72.82 -24.6 60.93 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.325 -0.55 . . . . 0.0 109.853 179.428 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.565 ' HA ' HD12 ' A' ' 50' ' ' ILE . 97.8 t -66.51 -34.9 73.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.814 174.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.705 ' HA ' HD11 ' A' ' 51' ' ' ILE . 19.6 m-30 -59.54 -37.66 79.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.886 173.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -69.63 -19.53 63.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.134 176.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.565 HD12 ' HA ' ' A' ' 47' ' ' VAL . 61.9 mt -73.87 -47.28 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.705 HD11 ' HA ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -64.62 -30.21 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.49 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.535 ' CG ' ' HA ' ' A' ' 55' ' ' LYS . 38.8 t0 -86.76 69.44 10.31 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 169.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -49.43 -50.51 40.51 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.33 -174.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -76.9 -19.12 57.8 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.119 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.535 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 25.8 ttpp 59.87 66.95 0.92 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.731 0.777 . . . . 0.0 112.427 175.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.2 m -127.91 31.7 5.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.616 177.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 69.5 12.2 8.16 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.541 0.736 . . . . 0.0 111.802 177.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -144.22 131.95 21.27 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.621 HG21 ' HB ' ' A' ' 51' ' ' ILE . 0.5 OUTLIER -127.42 94.5 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-O 122.11 0.957 . . . . 0.0 110.307 -174.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.553 ' HG2' ' H ' ' A' ' 61' ' ' GLU . 30.9 tt0 -93.35 178.51 5.7 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.911 -173.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.553 ' H ' ' HG2' ' A' ' 60' ' ' GLU . 8.2 tt0 -56.8 -41.54 77.93 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.41 -30.08 68.21 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.343 0.592 . . . . 0.0 110.413 178.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.552 ' O ' ' HB3' ' A' ' 67' ' ' PHE . 40.6 mt-10 -79.89 -42.84 23.35 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.331 177.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.648 ' HG ' HD21 ' A' ' 87' ' ' LEU . 3.3 mm? -62.79 -18.45 62.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.491 0.662 . . . . 0.0 110.537 175.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.511 ' HD3' ' O ' ' A' ' 78' ' ' LEU . 1.4 tppt? -72.68 -52.79 13.83 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.844 178.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.462 HD22 ' NE2' ' A' ' 69' ' ' GLN . 30.6 mt -102.79 4.81 38.3 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -176.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.552 ' HB3' ' O ' ' A' ' 63' ' ' GLU . 1.0 OUTLIER -61.43 -24.4 66.51 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.696 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.643 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.5 mm? -60.62 -43.63 97.27 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.027 174.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.462 ' NE2' HD22 ' A' ' 66' ' ' LEU . 78.8 mt-30 -70.7 -15.11 62.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.969 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -86.06 -34.8 20.6 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.419 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -66.52 -48.13 70.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.416 174.9 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.45 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 49.1 m -150.83 132.8 15.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.0 176.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.89 -31.8 51.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.411 -0.813 . . . . 0.0 113.074 -170.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -114.6 72.05 0.24 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.58 -0.819 . . . . 0.0 111.924 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.419 ' HB1' HD13 ' A' ' 16' ' ' LEU . . . -122.94 148.9 44.94 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.594 0.235 . . . . 0.0 111.166 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.52 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 5.7 mpt_? -71.94 130.18 40.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.046 177.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.69 120.13 18.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.26 175.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.511 ' O ' ' HD3' ' A' ' 65' ' ' LYS . 6.4 mp -63.19 116.3 5.29 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.103 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.546 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 13.1 p -111.34 155.63 22.79 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -171.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.9 t70 54.47 -109.75 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.999 -1.0 . . . . 0.0 112.704 171.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.554 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -80.36 -20.8 43.3 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -170.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 79' ' ' SER . 2.6 mm-40 -64.6 -52.33 58.06 Favored 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.85 -39.65 81.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.182 177.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -58.18 -61.6 2.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.835 -177.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.554 HG12 ' O ' ' A' ' 81' ' ' ALA . 7.6 p -71.12 -27.93 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.963 0.411 . . . . 0.0 110.826 -176.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -69.78 -38.1 76.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.267 177.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.648 HD21 ' HG ' ' A' ' 64' ' ' LEU . 64.4 mt -64.53 -43.55 93.64 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 175.141 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -64.14 -28.45 69.77 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.835 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.75 -37.53 71.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.11 0.481 . . . . 0.0 110.907 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.412 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -107.08 -53.17 0.7 Allowed Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.145 -178.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -78.25 113.91 16.65 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.8 t -86.11 -14.27 44.72 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.142 0.496 . . . . 0.0 109.881 -172.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.8 -27.39 44.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.387 0.613 . . . . 0.0 109.512 178.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 68.29 30.68 73.63 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -174.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.577 ' OD1' ' HG2' ' A' ' 97' ' ' LYS . 2.8 p30 -80.14 -8.47 59.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.673 0.273 . . . . 0.0 111.623 -172.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.22 -9.26 53.96 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.523 -0.846 . . . . 0.0 113.184 175.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.577 ' HG2' ' OD1' ' A' ' 95' ' ' ASP . 4.1 ptpp? -117.57 159.62 22.59 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.594 ' H ' HG22 ' A' ' 59' ' ' VAL . 16.1 mm -101.5 110.25 27.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.002 176.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -61.12 137.77 47.94 Favored Glycine 0 N--CA 1.437 -1.26 0 N-CA-C 108.775 -1.73 . . . . 0.0 108.775 166.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.3 m -55.09 -44.81 76.02 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.121 0 CA-C-N 117.95 0.875 . . . . 0.0 111.798 -174.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.44 -17.67 53.79 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.748 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' A' ' 99' ' ' GLY . 7.7 mm-40 -63.21 -43.97 96.62 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 170.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.559 ' CD2' HD11 ' A' ' 107' ' ' ILE . 25.6 t80 -63.05 -48.19 79.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.508 -179.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.86 -34.28 61.17 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.256 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.88 -30.71 65.69 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.489 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 7.6 ptp -77.32 -23.52 50.95 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.931 0.396 . . . . 0.0 110.45 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.559 HD11 ' CD2' ' A' ' 103' ' ' PHE . 66.6 mt -80.03 -37.46 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.697 0.761 . . . . 0.0 109.824 -178.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.416 ' HE3' ' HB3' ' A' ' 108' ' ' LYS . 0.6 OUTLIER -84.74 -12.74 53.13 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.564 -178.662 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.678 -0.677 . . . . 0.0 110.935 178.304 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.456 HG23 ' OD2' ' A' ' 43' ' ' ASP . 25.3 mm -59.85 -36.24 65.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 173.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.68 142.98 33.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.497 176.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -101.07 109.15 21.01 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 176.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -51.26 -35.54 37.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.106 -177.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.81 -45.85 80.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.334 178.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.95 -42.84 97.2 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.104 0.478 . . . . 0.0 110.746 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.412 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.8 mp -59.79 -55.46 23.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.072 175.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.2 m -54.13 -35.55 62.32 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.646 178.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.33 -44.57 96.97 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.878 0.37 . . . . 0.0 110.64 178.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.89 96.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.515 176.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.46 ' HG ' ' HA ' ' A' ' 75' ' ' ALA . 4.4 mm? -64.84 -24.49 67.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.028 177.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.77 -36.82 62.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.857 0.36 . . . . 0.0 110.903 178.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.06 -28.85 39.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.061 0.458 . . . . 0.0 110.662 178.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.542 ' SG ' ' HA ' ' A' ' 25' ' ' PHE . 62.3 m -116.67 63.1 0.72 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.425 -178.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -109.39 2.77 20.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.194 0.521 . . . . 0.0 110.439 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.49 139.57 46.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.007 -177.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -64.26 115.55 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.955 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.06 -24.07 19.63 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 111.431 -0.668 . . . . 0.0 111.431 -176.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.8 t -96.26 -4.26 42.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.78 0.324 . . . . 0.0 110.452 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.542 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 50.5 p90 -80.55 146.73 31.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.023 0.439 . . . . 0.0 111.14 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -137.57 102.18 4.69 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 169.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -53.13 -36.76 61.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.724 -175.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.47 ' O ' HG22 ' A' ' 32' ' ' THR . 2.8 tmmm? -67.38 -50.67 58.77 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.853 -178.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.5 -34.56 64.72 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.061 177.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -56.69 -58.89 6.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.945 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -68.04 -35.96 79.1 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -174.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 28' ' ' LYS . 9.7 t -75.22 -23.26 57.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.784 0.326 . . . . 0.0 111.129 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -83.43 -46.57 12.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.737 -178.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.2 m -72.8 -10.27 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 CA-C-O 120.981 0.42 . . . . 0.0 110.938 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.18 24.85 60.58 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.516 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.491 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 11.5 tp -81.49 -18.98 43.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.099 0.476 . . . . 0.0 110.462 -178.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.74 -15.54 63.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.559 -178.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.84 38.68 3.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.912 0.387 . . . . 0.0 110.939 -178.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.491 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 29.8 mmtp -99.37 165.72 11.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.313 0.578 . . . . 0.0 112.021 -178.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.2 m -100.34 159.52 29.52 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.068 178.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -43.5 -49.19 7.89 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.43 2.753 . . . . 0.0 114.115 -177.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.88 -35.45 80.04 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.997 0.427 . . . . 0.0 111.721 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.62 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 10.1 t70 -70.76 -45.48 64.71 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -178.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.502 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 4.5 mt -71.52 -20.94 21.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.856 177.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.577 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 49.8 tptt -63.13 -45.37 92.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.99 0.424 . . . . 0.0 110.419 174.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.62 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -70.32 -22.91 62.77 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.703 -0.799 . . . . 0.0 109.362 175.624 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.583 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 78.0 t -66.72 -30.32 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.948 172.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.577 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -56.1 -47.39 78.13 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 168.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -64.72 -15.52 61.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.859 177.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.583 ' HB ' ' O ' ' A' ' 47' ' ' VAL . 32.9 mm -76.5 -53.72 14.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.752 ' HB ' HG21 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -70.18 -31.17 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 118.511 0.596 . . . . 0.0 109.483 177.465 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.577 ' CG ' ' HA ' ' A' ' 55' ' ' LYS . 8.5 t0 -83.56 77.37 9.85 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 174.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -57.06 -32.97 66.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.634 0.73 . . . . 0.0 109.743 -178.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.46 -2.29 36.4 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.223 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.577 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 20.1 pttm 39.21 66.01 0.61 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 175.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 68.4 m -121.54 25.57 9.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.092 177.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 78.03 -2.08 2.5 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.059 0.944 . . . . 0.0 111.703 176.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -137.28 136.99 38.53 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 175.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.752 HG21 ' HB ' ' A' ' 51' ' ' ILE . 1.3 m -117.09 113.88 44.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-O 121.274 0.559 . . . . 0.0 109.561 -177.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -93.01 -177.38 4.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.258 -176.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -70.35 -47.1 62.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.809 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -58.17 -26.44 62.74 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.137 0.494 . . . . 0.0 110.008 177.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.406 ' OE2' ' HA ' ' A' ' 59' ' ' VAL . 27.8 mt-10 -72.26 -51.53 20.53 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.611 174.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.562 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -63.61 -18.87 64.36 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 111.578 -179.845 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.425 ' O ' HD23 ' A' ' 68' ' ' LEU . 20.1 mmtp -60.11 -54.75 42.23 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.218 0.532 . . . . 0.0 110.608 173.217 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.539 HD22 HE21 ' A' ' 69' ' ' GLN . 45.0 mt -103.93 5.15 35.42 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.378 -175.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.562 ' HD1' ' O ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -61.89 -24.22 66.8 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.769 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.656 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.4 mm? -60.95 -46.91 88.82 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.108 174.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.539 HE21 HD22 ' A' ' 66' ' ' LEU . 38.7 mt-30 -71.46 -12.41 61.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.917 179.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.46 ' HB3' ' O ' ' A' ' 67' ' ' PHE . 53.1 t30 -83.12 -33.29 26.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.249 175.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -82.51 -45.34 14.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.447 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.7 t -150.92 148.1 28.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.107 0.48 . . . . 0.0 110.772 -179.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.47 -8.42 59.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.167 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -107.46 15.2 38.8 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.122 179.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.46 ' HA ' ' HG ' ' A' ' 16' ' ' LEU . . . -95.45 155.11 16.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.917 0.389 . . . . 0.0 111.146 -177.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.602 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 29.2 mmm180 -106.5 148.07 28.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.693 -176.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.65 123.6 24.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.787 0.327 . . . . 0.0 110.428 176.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.7 mp -67.68 154.1 42.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.433 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.4 p -97.17 -171.82 2.3 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -169.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -48.88 -73.27 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.853 0.861 . . . . 0.0 113.296 -172.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.588 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -78.02 -22.32 49.44 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.246 -173.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -65.0 -57.44 8.69 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.508 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.567 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 6.8 m -57.82 -40.75 80.75 Favored 'General case' 0 C--O 1.226 -0.144 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.065 175.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -55.84 -60.07 3.99 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.062 -177.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 81' ' ' ALA . 10.1 p -74.48 -27.22 20.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.953 0.406 . . . . 0.0 110.93 -176.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -64.19 -36.02 82.7 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.339 -0.391 . . . . 0.0 109.972 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 83' ' ' THR . 79.8 mt -64.0 -42.28 97.22 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.107 0.479 . . . . 0.0 109.975 172.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -66.23 -17.93 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.263 -176.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.85 -23.41 67.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.137 0.494 . . . . 0.0 110.336 174.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.443 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -120.48 -59.86 0.24 Allowed Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.536 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.459 ' HA ' ' OE2' ' A' ' 102' ' ' GLU . 26.4 t0 -72.31 105.51 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 177.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.0 t -88.78 -14.31 37.39 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.405 0.621 . . . . 0.0 109.34 -174.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.25 -26.32 47.22 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.933 -176.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.48 36.7 22.71 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.777 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.589 ' HB2' ' HG2' ' A' ' 97' ' ' LYS . 58.0 m-20 -81.35 -21.04 39.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.122 0.487 . . . . 0.0 110.375 -178.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.03 24.82 23.92 Favored Glycine 0 C--N 1.33 0.199 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.684 -178.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.589 ' HG2' ' HB2' ' A' ' 95' ' ' ASP . 20.5 ptmt -134.92 178.83 6.71 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 122.929 0.491 . . . . 0.0 109.708 -175.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.589 ' HB ' ' CG2' ' A' ' 59' ' ' VAL . 8.9 mm -127.12 109.53 20.79 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.016 168.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -68.3 138.1 32.06 Favored Glycine 0 N--CA 1.436 -1.337 0 N-CA-C 109.04 -1.624 . . . . 0.0 109.04 166.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.477 HG21 ' CD1' ' A' ' 48' ' ' PHE . 84.9 t -59.68 -41.78 86.36 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.101 0 CA-C-N 117.241 0.521 . . . . 0.0 111.008 -176.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -61.17 -37.91 84.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.228 0.537 . . . . 0.0 110.163 173.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.459 ' OE2' ' HA ' ' A' ' 91' ' ' ASP . 48.6 mt-10 -67.31 -39.27 85.9 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.356 178.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.571 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . 21.1 t80 -67.32 -46.66 72.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.174 178.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.54 -31.64 60.38 Favored Glycine 0 N--CA 1.452 -0.251 0 CA-C-N 115.938 -0.573 . . . . 0.0 112.326 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.17 -39.97 82.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.527 0.203 . . . . 0.0 110.999 177.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.9 ptp -75.89 -20.11 58.31 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.722 0.296 . . . . 0.0 110.721 -178.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.557 HD11 ' CD2' ' A' ' 103' ' ' PHE . 78.4 mt -78.56 -38.19 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.823 0.821 . . . . 0.0 109.517 178.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.8 tmmm? -83.06 -17.12 44.34 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.372 -1.285 . . . . 0.0 110.699 -176.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.499 -0.762 . . . . 0.0 110.96 -179.952 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.5 0 N-CA-C 112.321 -0.312 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.492 HG23 ' OD2' ' A' ' 43' ' ' ASP . 34.6 mm -61.93 -46.17 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.542 0.687 . . . . 0.0 109.57 177.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.406 HD23 ' N ' ' A' ' 7' ' ' LEU . 1.6 pt? -132.25 127.2 35.22 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.721 177.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -76.06 105.22 6.98 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 174.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -54.98 -36.17 65.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.576 -173.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.22 -42.33 98.41 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.497 177.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -71.29 -41.31 70.14 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.005 0.431 . . . . 0.0 110.832 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.416 ' HA ' HG12 ' A' ' 34' ' ' VAL . 1.8 mp -58.07 -49.85 80.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.943 175.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.4 m -60.11 -37.4 79.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.001 178.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.4 -43.74 93.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.968 0.413 . . . . 0.0 111.166 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.94 -39.24 87.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.541 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.746 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 81.2 mt -68.04 -30.48 69.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.957 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.06 -29.27 66.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.285 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.35 -43.1 28.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.456 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.746 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 27.2 p -80.46 4.17 19.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.16 0.505 . . . . 0.0 110.995 -179.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -80.71 -18.53 47.55 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 171.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.47 109.75 18.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.756 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.47 ' HA ' ' CZ ' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -68.15 113.25 5.64 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.479 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.06 3.16 33.91 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.667 -176.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.2 m -141.83 56.69 1.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.212 0.529 . . . . 0.0 110.663 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.544 ' HB3' ' OE1' ' A' ' 82' ' ' GLU . 61.1 m-85 -96.19 130.2 43.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.368 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -137.22 91.95 2.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.434 0.635 . . . . 0.0 109.717 173.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.486 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 4.7 t60 -69.27 -26.54 64.81 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.577 -176.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.438 ' O ' HG22 ' A' ' 32' ' ' THR . 39.2 ttpt -68.84 -46.96 67.2 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 176.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.452 ' HA ' ' CG2' ' A' ' 32' ' ' THR . . . -59.13 -30.46 68.15 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.324 176.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.486 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 75.7 t80 -57.05 -57.08 14.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.225 176.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.517 ' CD2' ' HA ' ' A' ' 107' ' ' ILE . 29.0 m-85 -64.24 -38.89 92.66 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -176.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.452 ' CG2' ' HA ' ' A' ' 29' ' ' ALA . 5.0 t -75.38 -21.93 57.89 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.381 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -86.74 -44.32 11.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.115 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 30' ' ' PHE . 22.0 m -69.13 -18.08 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 CA-C-O 120.798 0.333 . . . . 0.0 111.114 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.16 22.78 40.1 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.566 177.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.554 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 15.2 tp -96.1 12.39 30.86 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-O 121.012 0.434 . . . . 0.0 111.268 -176.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.51 -22.61 18.13 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 171.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -110.33 27.73 9.34 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.008 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -72.7 174.13 8.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.603 0.716 . . . . 0.0 112.727 178.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.5 m -109.65 163.3 17.41 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.153 175.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.514 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 94.1 Cg_exo -45.26 -51.35 7.91 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.934 2.423 . . . . 0.0 113.771 -178.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.55 -22.45 63.55 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.845 0.355 . . . . 0.0 111.774 -176.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.646 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 15.4 t0 -67.09 -49.7 64.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.577 0.703 . . . . 0.0 109.129 -178.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.532 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 2.5 mt -66.88 -19.3 25.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.246 177.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.785 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 27.0 mmtp -70.67 -37.03 73.62 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.895 -0.503 . . . . 0.0 111.313 175.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.646 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -72.59 -21.95 61.06 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.011 -1.076 . . . . 0.0 108.858 172.495 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.532 ' HB ' ' O ' ' A' ' 44' ' ' ILE . 92.1 t -68.75 -36.03 72.44 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.129 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.102 171.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.785 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 5.6 t80 -45.81 -48.14 15.71 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 169.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -69.63 -28.24 65.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.942 -1.026 . . . . 0.0 112.001 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.638 HG13 ' O ' ' A' ' 46' ' ' LYS . 51.0 mt -68.03 -54.29 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -175.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.883 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -63.85 -36.1 75.49 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.714 0 C-N-CA 119.581 -0.848 . . . . 0.0 109.175 -178.199 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.491 ' HA ' ' HG2' ' A' ' 63' ' ' GLU . 28.0 t0 -87.82 77.2 8.61 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 108.866 -0.791 . . . . 0.0 108.866 175.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.604 ' HA ' HD22 ' A' ' 70' ' ' ASN . 0.0 OUTLIER -59.74 -22.09 61.61 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -172.684 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -104.1 -4.42 23.23 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.521 0.2 . . . . 0.0 110.915 176.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt 45.41 65.62 1.09 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 172.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 22.2 p -130.07 22.24 5.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.266 174.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 56' ' ' SER . 1.6 m-20 78.79 17.46 0.99 Allowed 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.188 -0.915 . . . . 0.0 113.038 172.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -141.65 130.46 22.95 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 174.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.883 HG11 ' HB ' ' A' ' 51' ' ' ILE . 46.4 t -126.07 81.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.603 -172.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -79.63 -174.2 4.17 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.698 0.285 . . . . 0.0 111.271 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.17 -39.31 94.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.689 0.281 . . . . 0.0 111.012 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.23 -28.32 66.58 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.195 0.522 . . . . 0.0 110.569 176.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.514 ' HG3' ' H ' ' A' ' 53' ' ' GLN . 1.8 tp10 -69.35 -48.25 61.91 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.673 177.185 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.461 ' HA ' ' HB3' ' A' ' 67' ' ' PHE . 4.2 mm? -63.03 -19.75 64.67 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.193 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.497 ' O ' HD23 ' A' ' 68' ' ' LEU . 12.0 mptt -66.67 -51.1 59.89 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.083 0.468 . . . . 0.0 110.68 178.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 51.6 mt -102.75 4.52 38.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.202 0.525 . . . . 0.0 111.991 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.577 ' CD2' HG22 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -60.43 -23.64 64.56 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 175.812 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 2.5 mm? -65.2 -40.2 93.87 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.833 174.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -67.79 -19.15 65.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.444 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.604 HD22 ' HA ' ' A' ' 53' ' ' GLN . 50.3 t-20 -83.6 -42.01 17.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.426 174.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.416 ' CD2' HG21 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -61.99 -46.52 88.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.74 -177.484 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.429 ' OG ' ' HB2' ' A' ' 75' ' ' ALA . 11.6 p -148.99 165.61 31.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.264 -177.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.86 -43.88 43.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.198 -177.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -107.95 80.78 0.28 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.445 179.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.529 ' HB1' ' HB3' ' A' ' 68' ' ' LEU . . . -121.65 165.28 15.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.962 0.411 . . . . 0.0 111.915 -174.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.616 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 1.2 mmp_? -110.27 125.89 53.6 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.824 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.446 ' HA ' HD23 ' A' ' 68' ' ' LEU . . . -66.21 119.91 12.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.937 0.399 . . . . 0.0 111.197 -179.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.461 ' HG ' ' HG2' ' A' ' 82' ' ' GLU . 6.2 mp -65.71 134.56 53.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.893 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.2 m -147.58 -178.79 6.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.403 -179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 65.12 -158.01 0.29 Allowed 'General case' 0 C--O 1.236 0.373 0 O-C-N 123.594 0.559 . . . . 0.0 110.609 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.685 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -55.41 -26.6 42.7 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -177.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.629 ' O ' ' HB2' ' A' ' 86' ' ' PHE . 8.3 tp10 -52.75 -51.92 58.6 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 122.604 0.362 . . . . 0.0 110.801 -177.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.833 ' O ' ' HB3' ' A' ' 87' ' ' LEU . 1.2 m -67.63 -30.35 69.89 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.821 -179.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -72.58 -61.73 1.7 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.179 0.514 . . . . 0.0 111.181 -175.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.685 HG12 ' O ' ' A' ' 81' ' ' ALA . 2.7 p -76.7 -35.77 25.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.605 -173.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.629 ' HB2' ' O ' ' A' ' 82' ' ' GLU . 22.8 m-85 -86.82 -18.41 31.07 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -174.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.833 ' HB3' ' O ' ' A' ' 83' ' ' THR . 0.1 OUTLIER -81.02 -26.73 36.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 166.303 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -70.09 -21.26 63.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.457 173.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.42 -23.58 50.32 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.172 0.51 . . . . 0.0 110.708 174.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.59 ' O ' ' HB3' ' A' ' 102' ' ' GLU . . . -103.83 -61.06 0.68 Allowed Glycine 0 N--CA 1.442 -0.916 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.875 -178.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -59.37 111.82 1.52 Allowed 'General case' 0 C--O 1.233 0.201 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 -177.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.5 m -87.09 -20.46 27.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.275 0.559 . . . . 0.0 110.181 -172.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.78 -25.75 32.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.171 -179.02 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 70.29 43.83 61.59 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -173.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.597 ' OD2' ' HG2' ' A' ' 97' ' ' LYS . 4.4 p-10 -107.52 -8.33 16.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.578 -0.311 . . . . 0.0 110.953 -173.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.33 28.73 5.96 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.705 -0.759 . . . . 0.0 114.176 169.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.597 ' HG2' ' OD2' ' A' ' 95' ' ' ASP . 8.5 ptpp? -152.89 146.5 25.06 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 121.685 0.755 . . . . 0.0 111.008 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.568 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 20.9 mm -88.67 100.45 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.816 174.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -62.16 138.11 45.73 Favored Glycine 0 N--CA 1.433 -1.524 0 N-CA-C 107.705 -2.158 . . . . 0.0 107.705 162.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.707 HG21 ' CD2' ' A' ' 48' ' ' PHE . 93.3 t -63.76 -37.8 80.63 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 CA-C-N 118.051 0.926 . . . . 0.0 110.938 -173.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -59.67 -44.16 93.69 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.578 172.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.59 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 5.3 mm-40 -57.08 -43.97 82.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.405 176.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.647 ' O ' HG13 ' A' ' 107' ' ' ILE . 17.3 t80 -62.21 -45.65 92.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.195 -179.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -54.33 -35.5 55.79 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.323 178.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.16 -32.92 71.11 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.3 ptp -79.08 -22.73 44.86 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.95 0.405 . . . . 0.0 110.103 178.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.647 HG13 ' O ' ' A' ' 103' ' ' PHE . 67.1 mt -75.54 -35.63 32.58 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-O 121.899 0.857 . . . . 0.0 109.338 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.24 -31.85 20.06 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.965 -178.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.733 -0.651 . . . . 0.0 110.512 -179.619 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.05 45.79 2.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.256 0.55 . . . . 0.0 110.343 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.509 ' CZ ' ' HA ' ' A' ' 72' ' ' SER . 84.0 m-85 -111.8 -178.86 3.54 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.529 -177.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.54 154.96 25.98 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.231 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.96 4.6 22.57 Favored Glycine 0 C--N 1.33 0.197 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.479 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.507 ' CG2' ' HE3' ' A' ' 39' ' ' LYS . 56.2 mt -59.63 -32.6 49.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 121.601 0.715 . . . . 0.0 109.575 172.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.41 ' H ' HD23 ' A' ' 7' ' ' LEU . 1.3 pt? -121.07 149.72 42.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.737 175.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -101.62 106.18 17.2 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 175.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -50.13 -37.98 36.93 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.386 -176.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.69 -41.15 96.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -72.54 -37.36 68.31 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 120.665 0.269 . . . . 0.0 110.943 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.57 -54.42 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.47 172.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.4 m -60.37 -39.21 86.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.509 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.93 -61.46 2.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.765 -178.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.44 -32.83 74.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.303 -177.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.707 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 67.6 mt -69.55 -31.32 69.45 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.82 0.343 . . . . 0.0 111.486 178.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.94 -29.06 64.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.001 0.429 . . . . 0.0 109.931 175.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.39 -42.06 19.14 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.134 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.707 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 31.9 p -81.95 45.37 0.91 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.774 0.797 . . . . 0.0 110.574 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -115.36 -13.44 11.66 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.829 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.63 132.47 48.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.343 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.99 120.0 11.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.04 0.447 . . . . 0.0 110.561 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.65 -18.46 29.61 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 -175.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.1 m -108.7 51.02 0.76 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.14 -0.53 . . . . 0.0 109.76 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -102.26 58.0 0.81 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.023 -174.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -87.83 77.58 8.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 122.061 0.934 . . . . 0.0 109.243 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.632 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -84.84 -20.94 30.09 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.433 -175.241 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.469 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 16.1 mtmm -67.79 -33.06 74.08 Favored 'General case' 0 N--CA 1.423 -1.819 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 175.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 33' ' ' LYS . . . -65.14 -31.63 72.92 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.948 173.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.632 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 51.5 t80 -57.01 -50.73 71.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.342 175.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.469 ' CD2' ' HA ' ' A' ' 28' ' ' LYS . 15.4 m-85 -60.18 -46.68 88.88 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.772 0.32 . . . . 0.0 111.096 -177.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.0 t -74.22 -21.75 59.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.636 -177.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 47.7 tttm -81.63 -48.66 11.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.835 0.35 . . . . 0.0 110.899 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.4 m -75.0 -8.54 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.562 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.86 19.43 53.8 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.508 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.422 HD12 ' HG3' ' A' ' 39' ' ' LYS . 13.7 tp -77.04 -21.7 54.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.804 0.335 . . . . 0.0 110.574 -175.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.05 -4.64 48.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.104 0.478 . . . . 0.0 110.455 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -116.95 44.27 2.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.765 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.507 ' HE3' ' CG2' ' A' ' 6' ' ' ILE . 15.5 mmtm -108.61 149.78 28.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.049 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.5 m -92.62 162.39 29.53 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 177.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.506 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 81.3 Cg_exo -42.87 -49.78 6.57 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.972 2.448 . . . . 0.0 113.332 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.93 -43.38 91.16 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 120.785 0.326 . . . . 0.0 111.586 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.735 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 37.1 m-20 -64.75 -48.08 75.86 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.426 HD13 ' HA ' ' A' ' 44' ' ' ILE . 6.1 mm -61.46 -24.95 35.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.39 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.645 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 30.4 mmtp -77.6 -31.88 53.23 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 122.086 -0.384 . . . . 0.0 111.894 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.735 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -74.67 -30.85 61.73 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 173.249 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 43' ' ' ASP . 38.5 t -68.74 -30.92 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.653 174.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.741 ' HA ' HD11 ' A' ' 51' ' ' ILE . 2.0 t80 -52.18 -49.51 63.71 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.236 0.541 . . . . 0.0 110.196 169.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -66.75 -15.29 63.44 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.023 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.598 ' HA ' ' ND2' ' A' ' 70' ' ' ASN . 51.9 mt -75.68 -50.63 22.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 119.229 -0.415 . . . . 0.0 111.867 174.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.741 HD11 ' HA ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -67.5 -22.1 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 176.677 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.596 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 38.9 t0 -93.25 62.89 3.54 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 170.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -65.35 -21.04 66.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.181 0.515 . . . . 0.0 110.581 -172.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.553 ' OD1' ' HG2' ' A' ' 63' ' ' GLU . 1.5 m-20 -85.06 -19.05 32.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.368 177.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.7 tptt 60.74 63.83 1.25 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 121.818 0.818 . . . . 0.0 109.686 -173.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.428 ' H ' ' CG ' ' A' ' 52' ' ' ASP . 52.5 p -122.15 10.37 10.01 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.375 -173.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.7 t70 70.82 -3.26 2.03 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.576 0.75 . . . . 0.0 110.964 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -136.85 150.83 48.52 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.678 HG21 ' HB ' ' A' ' 51' ' ' ILE . 0.4 OUTLIER -122.28 102.36 11.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.65 0.738 . . . . 0.0 110.455 -176.624 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.481 ' OE2' ' HE3' ' A' ' 97' ' ' LYS . 59.7 mm-40 -94.42 174.92 6.89 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.105 -179.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -58.98 -43.29 91.36 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.668 0.27 . . . . 0.0 111.64 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -60.62 -22.01 63.33 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.991 0.424 . . . . 0.0 111.199 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.553 ' HG2' ' OD1' ' A' ' 54' ' ' ASP . 44.1 mt-10 -81.92 -39.96 23.01 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 177.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.62 ' HG ' HD21 ' A' ' 87' ' ' LEU . 2.7 mm? -62.94 -19.19 64.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.95 0.405 . . . . 0.0 111.154 176.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.442 ' HB3' HD22 ' A' ' 66' ' ' LEU . 11.5 mptt -65.5 -52.57 51.79 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.008 177.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.497 HD12 ' NE2' ' A' ' 69' ' ' GLN . 1.4 mm? -103.07 3.86 36.51 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -179.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.624 ' CD1' ' HG ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -62.1 -26.82 68.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.381 0.61 . . . . 0.0 109.552 -177.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.624 ' HG ' ' CD1' ' A' ' 67' ' ' PHE . 0.7 OUTLIER -73.2 -34.02 65.72 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.424 -178.447 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.497 ' NE2' HD12 ' A' ' 66' ' ' LEU . 78.6 mt-30 -67.82 -23.74 65.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.345 0.593 . . . . 0.0 109.441 175.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.598 ' ND2' ' HA ' ' A' ' 50' ' ' ILE . 53.4 t30 -82.83 -29.09 29.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.562 176.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -71.84 -51.19 23.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.371 175.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.509 ' HA ' ' CZ ' ' A' ' 3' ' ' PHE . 50.4 m -148.03 141.13 24.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.885 178.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.64 -28.12 69.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.541 -170.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -110.15 47.27 1.06 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.281 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.435 ' HB1' HD13 ' A' ' 16' ' ' LEU . . . -101.09 157.61 16.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.874 0.369 . . . . 0.0 111.172 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.51 ' O ' HD13 ' A' ' 68' ' ' LEU . 20.3 mmt180 -92.36 142.34 27.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.498 -177.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.1 133.27 36.08 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 175.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.516 ' HG ' HD11 ' A' ' 68' ' ' LEU . 45.4 mt -74.81 142.87 44.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.595 -172.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.8 p -96.73 -171.49 2.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.969 -176.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -48.86 -66.64 0.37 Allowed 'General case' 0 CA--C 1.505 -0.771 0 O-C-N 123.68 0.612 . . . . 0.0 112.503 -174.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.5 -26.45 60.01 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.867 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.462 ' OE1' ' HB2' ' A' ' 19' ' ' CYS . 21.4 tp10 -66.77 -57.59 6.76 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.684 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.5 m -59.48 -37.55 78.54 Favored 'General case' 0 C--O 1.223 -0.329 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.185 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -59.06 -61.6 2.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.679 -177.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.98 -38.18 81.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.56 -176.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.412 ' HE2' HD12 ' A' ' 64' ' ' LEU . 11.2 t80 -60.45 -51.4 69.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.04 177.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.62 HD21 ' HG ' ' A' ' 64' ' ' LEU . 76.6 mt -57.25 -51.86 67.63 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 120.986 0.422 . . . . 0.0 110.082 178.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm -65.41 -15.45 62.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.771 -174.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.69 -37.23 63.02 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.548 ' CA ' ' HB3' ' A' ' 106' ' ' MET . . . -114.36 -42.46 0.82 Allowed Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.015 177.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.611 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 25.7 t0 -60.06 94.12 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.145 0.497 . . . . 0.0 109.985 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.8 m -96.97 -27.51 14.6 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.054 -175.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.627 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 15.0 p30 -83.0 -7.01 59.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.32 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.92 44.95 90.82 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.299 -0.864 . . . . 0.0 113.247 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 39.2 p-10 -109.22 20.07 18.73 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.9 28.81 73.28 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.318 -0.468 . . . . 0.0 112.908 171.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.52 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 6.5 ptmt -144.14 167.01 23.42 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -174.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.591 HD11 ' HA ' ' A' ' 87' ' ' LEU . 25.0 mm -105.71 98.06 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 170.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.65 137.43 48.67 Favored Glycine 0 N--CA 1.433 -1.51 0 N-CA-C 107.159 -2.376 . . . . 0.0 107.159 166.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.468 HG11 ' CD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -70.61 -18.56 21.21 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 CA-C-N 118.599 1.2 . . . . 0.0 110.841 -170.465 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -81.0 -34.32 33.01 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.038 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.504 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 16.1 mt-10 -62.52 -38.09 88.61 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 170.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.731 ' O ' ' HG2' ' A' ' 106' ' ' MET . 18.2 t80 -62.81 -53.08 59.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.209 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.37 -35.15 60.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.554 -0.832 . . . . 0.0 111.882 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.79 -45.24 68.41 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.731 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 8.8 ptm -67.41 -31.33 71.46 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.631 0.253 . . . . 0.0 111.399 -177.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.641 HD11 ' CE2' ' A' ' 103' ' ' PHE . 75.5 mt -75.89 -38.41 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-O 121.654 0.74 . . . . 0.0 109.648 -177.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.54 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -77.98 -31.75 50.9 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 114.633 -1.167 . . . . 0.0 109.884 -177.566 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 O-C-N 123.728 0.642 . . . . 0.0 110.15 -174.673 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . 0.596 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . 0.627 'CA ' ' OD1' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.4 mtp . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.913 0.387 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.71 80.62 6.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.348 -176.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 64.63 -79.47 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.552 177.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.12 -10.34 8.12 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.983 0.42 . . . . 0.0 110.681 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 81.54 -21.67 6.13 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.168 -0.539 . . . . 0.0 112.487 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.72 -35.07 49.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 121.803 0.811 . . . . 0.0 109.397 172.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.591 HD13 ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -128.53 156.11 43.8 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.5 176.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -102.1 135.57 43.46 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -57.45 -34.35 68.88 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 176.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.46 -40.73 76.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.065 -0.97 . . . . 0.0 112.1 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.663 ' OD1' ' HA ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -77.56 -42.36 35.6 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.125 0.488 . . . . 0.0 110.567 -173.157 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.444 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.6 mp -57.86 -54.35 32.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.226 171.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.5 m -56.59 -33.12 65.9 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.267 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.2 -44.1 87.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.84 0.353 . . . . 0.0 110.582 177.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.02 -41.1 82.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.087 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 12' ' ' ILE . 4.6 mm? -61.98 -38.85 90.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.294 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.98 -25.69 59.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.884 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.732 ' O ' ' HB3' ' A' ' 24' ' ' SER . . . -76.08 -43.43 43.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.905 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.1 m -87.06 47.06 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.989 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -66.54 -37.26 84.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.642 -174.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.498 ' H ' ' HB2' ' A' ' 24' ' ' SER . . . -166.56 -157.29 0.27 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.779 0.323 . . . . 0.0 111.748 -175.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.421 ' HA ' ' CE2' ' A' ' 25' ' ' PHE . 54.7 mm-40 -52.24 133.97 33.76 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.586 -0.733 . . . . 0.0 112.028 -177.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.19 -7.59 10.53 Favored Glycine 0 CA--C 1.519 0.337 0 CA-C-N 115.451 -0.795 . . . . 0.0 113.356 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.732 ' HB3' ' O ' ' A' ' 18' ' ' ALA . 45.7 m -99.39 -27.67 13.64 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.571 -0.37 . . . . 0.0 111.438 -177.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.559 ' CD1' HG11 ' A' ' 85' ' ' VAL . 3.6 p90 -69.5 118.31 12.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.371 0.605 . . . . 0.0 111.779 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.425 ' OD2' ' HB3' ' A' ' 28' ' ' LYS . 15.7 t70 -137.91 97.79 3.5 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.48 173.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.424 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 3.7 p-80 -52.13 -33.05 38.3 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.38 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.559 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 64.0 tttm -67.85 -53.79 24.05 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.749 -178.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.68 -38.5 64.26 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.148 174.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.424 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 78.2 t80 -55.85 -58.93 5.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.919 178.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 28' ' ' LYS . 1.9 p90 -62.41 -38.72 90.78 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.272 0.558 . . . . 0.0 111.274 -174.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 28' ' ' LYS . 8.3 t -86.57 -21.09 27.06 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.114 -170.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -80.82 -42.87 20.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.481 177.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.663 ' HA ' ' OD1' ' A' ' 11' ' ' ASP . 11.3 m -80.91 -1.17 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-O 121.211 0.529 . . . . 0.0 111.03 178.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.449 ' O ' ' HG2' ' A' ' 39' ' ' LYS . . . 65.74 34.06 87.73 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.815 -0.629 . . . . 0.0 112.372 178.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.568 HD11 HG21 ' A' ' 47' ' ' VAL . 12.2 tp -76.75 -33.4 58.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.829 0.347 . . . . 0.0 110.707 -177.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.49 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . . . -67.21 -21.13 65.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -93.51 -6.11 47.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.27 178.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 46.4 mmtm -72.21 144.77 48.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.413 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.3 m -75.13 157.12 85.51 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.848 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -43.75 -47.56 9.65 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.193 2.596 . . . . 0.0 113.51 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.24 95.88 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.193 0.521 . . . . 0.0 111.683 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.536 ' O ' HG23 ' A' ' 47' ' ' VAL . 19.7 m-20 -68.15 -42.9 79.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.789 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 mt -70.36 -23.42 24.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.043 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 21.4 tptm -64.65 -44.45 90.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.009 0.433 . . . . 0.0 110.935 177.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.748 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -72.69 -24.07 60.96 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.039 -0.664 . . . . 0.0 109.827 176.214 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.568 HG21 HD11 ' A' ' 36' ' ' LEU . 96.1 t -65.24 -38.55 82.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.298 0.571 . . . . 0.0 109.711 171.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.762 ' HA ' HD11 ' A' ' 51' ' ' ILE . 10.5 m-30 -59.23 -35.76 74.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.214 176.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.748 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 8.3 pt-20 -79.07 -15.7 57.82 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.449 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.699 HG13 ' O ' ' A' ' 46' ' ' LYS . 47.1 mt -70.28 -45.66 74.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.423 176.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.776 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -62.56 -35.4 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 176.018 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.619 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 34.8 t0 -80.65 62.51 4.74 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.211 174.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.33 -37.16 72.11 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.533 0.682 . . . . 0.0 110.813 -171.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.589 ' HB3' ' OE2' ' A' ' 63' ' ' GLU . 3.1 t70 -75.77 -18.67 59.45 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.575 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.403 ' HA ' ' OD2' ' A' ' 52' ' ' ASP . 24.3 tptp 62.53 65.01 0.87 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 122.14 0.971 . . . . 0.0 110.834 -176.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.413 ' C ' ' H ' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -110.73 -0.81 16.93 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.665 -1.152 . . . . 0.0 110.462 -179.113 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 56' ' ' SER . 2.5 m-20 71.63 -1.12 2.91 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.685 0.794 . . . . 0.0 110.374 -174.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.413 ' H ' ' C ' ' A' ' 56' ' ' SER . 96.5 m-85 -136.12 139.3 42.83 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 172.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.776 HG11 ' HB ' ' A' ' 51' ' ' ILE . 59.5 t -103.67 114.21 42.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.384 -173.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -88.17 177.39 6.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.9 0.381 . . . . 0.0 111.304 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -66.4 -46.35 76.9 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.976 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -68.79 -23.24 64.27 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.662 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.589 ' OE2' ' HB3' ' A' ' 54' ' ' ASP . 44.6 mt-10 -70.81 -39.4 73.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.075 172.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.568 ' HG ' HD13 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -62.85 -28.96 70.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.581 179.81 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.473 ' HB3' HD22 ' A' ' 66' ' ' LEU . 9.6 mptt -60.5 -55.71 30.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.872 -179.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.473 HD22 ' HB3' ' A' ' 65' ' ' LYS . 1.2 mm? -100.61 5.39 43.89 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.702 -0.399 . . . . 0.0 112.024 -175.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.597 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -58.05 -32.25 67.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.399 0.619 . . . . 0.0 109.538 178.832 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.597 ' HG ' ' CE2' ' A' ' 67' ' ' PHE . 1.2 mp -72.18 -34.02 68.12 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.667 -177.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -71.27 -19.15 62.38 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -82.8 -35.09 26.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.275 174.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -65.46 -50.27 65.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.451 176.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.9 m -150.41 137.61 19.47 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.888 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.2 -27.31 68.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.505 -172.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -99.36 16.0 59.53 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.43 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.79 150.08 26.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.994 0.426 . . . . 0.0 111.049 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.2 mtp-105 -81.87 148.79 28.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.238 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.444 ' HA ' HD13 ' A' ' 68' ' ' LEU . . . -90.27 118.75 30.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.154 173.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.5 mp -65.16 137.34 57.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.717 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.525 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 16.9 m -133.87 142.98 48.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.915 0.388 . . . . 0.0 111.665 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.2 t70 57.92 -108.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.359 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.471 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -69.64 -39.82 76.9 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -168.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 79' ' ' SER . 3.7 pt-20 -67.9 -34.98 77.69 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.351 -175.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.506 ' O ' ' HB2' ' A' ' 87' ' ' LEU . 3.6 m -67.56 -48.56 66.57 Favored 'General case' 0 C--O 1.216 -0.704 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 173.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -54.67 -59.74 4.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.409 -175.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.559 HG11 ' CD1' ' A' ' 25' ' ' PHE . 8.4 p -67.32 -38.81 81.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.534 0.207 . . . . 0.0 111.55 -174.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -71.53 -31.9 67.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.388 . . . . 0.0 110.343 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.755 HD12 HG12 ' A' ' 98' ' ' ILE . 13.6 tp -68.44 -47.39 67.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.467 0.651 . . . . 0.0 109.671 177.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -70.04 -17.45 63.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.933 -177.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.48 -29.18 66.01 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.384 0.612 . . . . 0.0 110.224 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.448 ' O ' ' HB3' ' A' ' 102' ' ' GLU . . . -107.83 -53.32 0.67 Allowed Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.842 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.634 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 22.6 t0 -65.96 99.21 0.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.155 0.502 . . . . 0.0 109.744 176.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.4 m -96.92 -16.68 20.56 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.595 -171.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.635 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 12.9 p-10 -103.06 -0.46 30.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.955 -175.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.0 53.03 4.37 Favored Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.678 -0.772 . . . . 0.0 114.409 170.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.638 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 37.1 m-20 -86.68 -21.52 26.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.225 0.512 . . . . 0.0 110.207 176.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.52 24.68 60.26 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -173.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.7 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 19.4 ptpt -158.64 175.7 13.31 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -176.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.755 HG12 HD12 ' A' ' 87' ' ' LEU . 5.9 mm -101.31 113.83 38.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.268 0.556 . . . . 0.0 110.969 177.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -71.07 136.04 24.92 Favored Glycine 0 N--CA 1.434 -1.483 0 N-CA-C 107.96 -2.056 . . . . 0.0 107.96 162.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.507 HG13 ' HB3' ' A' ' 48' ' ' PHE . 13.7 t -58.02 -42.77 83.58 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 117.549 0.675 . . . . 0.0 111.337 -174.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -71.63 -30.43 65.75 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.996 0.427 . . . . 0.0 110.081 178.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.448 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 29.8 mt-10 -65.31 -35.35 80.74 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.408 177.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.442 ' O ' ' HG2' ' A' ' 106' ' ' MET . 57.3 t80 -64.6 -42.43 95.56 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 177.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.4 -37.27 65.51 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.572 175.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.1 -30.31 71.49 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.442 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 6.0 ptp -83.71 -22.31 32.05 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.94 -178.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 103' ' ' PHE . 45.0 mt -75.38 -30.25 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 122.31 1.053 . . . . 0.0 109.032 178.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.1 tmmt? -94.49 -17.57 22.3 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.147 -1.388 . . . . 0.0 111.006 -177.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.653 -0.689 . . . . 0.0 110.663 179.624 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . 0.619 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . 0.638 'CA ' ' OD2' ' A' ' 95' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.0 tpt . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 120.684 0.278 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.65 139.91 41.49 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -133.3 135.78 45.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.225 0.536 . . . . 0.0 110.873 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.32 -23.09 20.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.196 177.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.8 2.69 18.83 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.862 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.408 HD13 ' HA ' ' A' ' 6' ' ' ILE . 20.8 mm -63.38 -40.77 90.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.509 0.671 . . . . 0.0 109.265 172.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.401 ' O ' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -149.41 135.39 18.88 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.611 170.481 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -94.37 114.59 26.66 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.454 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -55.5 -34.07 64.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.598 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.07 -43.7 94.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.133 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.25 -45.91 78.94 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.106 0.479 . . . . 0.0 111.027 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.14 -44.12 98.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.306 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.4 m -63.9 -34.92 79.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.835 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.27 99.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.987 0.422 . . . . 0.0 110.701 177.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.72 -37.34 82.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.661 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.0 mt -74.18 -18.48 60.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.047 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.67 -35.2 39.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.224 0.535 . . . . 0.0 109.959 173.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.89 -28.97 63.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.603 175.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.6 m -108.21 34.89 3.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.417 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -74.42 -30.02 61.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.869 177.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.21 108.44 3.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.865 175.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -62.69 130.51 45.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.82 -177.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.17 10.97 63.59 Favored Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.9 t -134.06 28.92 3.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.964 0.412 . . . . 0.0 110.263 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -69.89 125.03 25.53 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.523 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.504 ' OD1' ' HB3' ' A' ' 28' ' ' LYS . 13.6 t70 -107.8 92.95 4.28 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 173.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -47.71 -31.63 4.94 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.901 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.621 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . 7.4 ttpm? -72.53 -51.13 21.22 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.689 -176.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.79 -32.7 45.23 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.755 177.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -65.83 -57.34 8.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.602 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.621 ' CE2' ' HA ' ' A' ' 28' ' ' LYS . 1.3 p90 -64.44 -36.53 84.48 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.377 0.608 . . . . 0.0 111.207 -175.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.428 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 3.3 t -86.31 -20.41 28.41 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.94 -169.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -82.6 -48.83 10.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.867 177.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.402 ' CG2' ' HB2' ' A' ' 36' ' ' LEU . 6.0 m -75.08 -11.71 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.746 -175.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.86 30.46 23.45 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.919 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.461 HD12 ' HG3' ' A' ' 39' ' ' LYS . 11.6 tp -80.21 -23.17 41.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.988 0.423 . . . . 0.0 110.535 -176.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.479 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . . . -68.58 -23.14 64.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.31 -175.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -112.52 30.84 6.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.043 0.449 . . . . 0.0 111.349 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.461 ' HG3' HD12 ' A' ' 36' ' ' LEU . 67.7 mmtt -83.69 146.74 28.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.223 0.535 . . . . 0.0 111.202 -179.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.8 m -83.36 159.82 60.96 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.433 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -44.67 -43.85 14.32 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.451 2.767 . . . . 0.0 114.475 -174.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.91 -43.75 97.95 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 120.796 0.331 . . . . 0.0 111.747 -176.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.526 ' O ' HG23 ' A' ' 47' ' ' VAL . 9.9 t0 -70.24 -46.48 64.37 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 44' ' ' ILE . 11.4 mm -62.19 -28.29 44.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.848 177.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 21.7 tptm -62.77 -47.32 84.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.904 177.049 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.645 ' O ' HG13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -71.31 -23.55 61.97 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.036 -0.666 . . . . 0.0 110.014 177.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.591 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 91.2 t -64.64 -41.21 91.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 121.186 0.517 . . . . 0.0 109.768 171.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.671 ' CG ' HG13 ' A' ' 100' ' ' VAL . 20.9 m-30 -57.63 -32.51 67.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.569 174.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -79.25 -16.3 56.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.312 176.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.645 HG13 ' O ' ' A' ' 46' ' ' LYS . 58.6 mt -72.68 -45.88 56.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.374 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.846 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -66.01 -33.74 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.358 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.409 ' CA ' HG22 ' A' ' 59' ' ' VAL . 42.3 t0 -82.18 56.7 3.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.256 176.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -23.22 67.19 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.83 0.348 . . . . 0.0 111.741 -173.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -85.16 -16.1 41.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.148 0.499 . . . . 0.0 110.658 175.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.93 62.38 2.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.641 176.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 m -120.63 5.05 10.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.423 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 70.64 13.6 7.27 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 114.869 -1.06 . . . . 0.0 110.888 -176.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -132.83 136.25 46.14 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 168.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.846 HG11 ' HB ' ' A' ' 51' ' ' ILE . 58.7 t -120.41 82.73 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.272 -169.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -80.79 175.82 10.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.843 0.354 . . . . 0.0 111.731 -176.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -56.27 -37.63 70.08 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 177.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.5 -34.46 69.1 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.173 177.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.626 ' OE2' 'CA ' ' A' ' 201' ' ' ' CA' . 1.1 mp0 -69.52 -44.14 71.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.865 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.551 ' HG ' ' CD2' ' A' ' 87' ' ' LEU . 4.3 mm? -63.64 -19.58 64.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.454 -177.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.447 ' HB2' HD22 ' A' ' 66' ' ' LEU . 28.4 mmtm -63.62 -51.66 64.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.98 0.419 . . . . 0.0 110.601 174.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.447 HD22 ' HB2' ' A' ' 65' ' ' LYS . 1.3 mm? -101.02 5.14 42.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.513 -177.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.531 ' CD1' HG22 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -51.85 -36.91 49.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.5 173.269 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.748 HD22 ' H ' ' A' ' 68' ' ' LEU . 1.7 mm? -63.11 -46.49 87.1 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.068 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.516 ' HA ' ' O ' ' A' ' 72' ' ' SER . 79.3 mt-30 -71.56 -10.52 59.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.787 -178.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.618 ' ND2' ' HA ' ' A' ' 50' ' ' ILE . 60.1 t30 -90.61 -33.17 15.97 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 177.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.46 -44.24 62.61 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 174.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.516 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 49.0 m -149.78 122.2 8.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.084 175.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.52 -28.66 63.66 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -172.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -101.11 58.05 0.68 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.337 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -121.48 163.43 18.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.925 0.393 . . . . 0.0 111.447 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.458 ' H ' ' HD2' ' A' ' 76' ' ' ARG . 0.5 OUTLIER -87.12 142.39 27.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.723 -178.704 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.55 119.0 27.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.635 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.0 mp -64.56 150.21 47.28 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.405 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.0 p -135.7 129.36 32.57 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 113.855 1.058 . . . . 0.0 113.855 -174.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.5 t70 54.38 -98.2 0.08 Allowed 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 114.361 -1.291 . . . . 0.0 113.24 168.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.412 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -66.04 -37.62 86.32 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.748 0.309 . . . . 0.0 111.813 -168.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -77.2 -38.81 50.71 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.215 -176.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.552 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 3.0 m -64.71 -37.93 89.28 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 120.776 0.322 . . . . 0.0 110.305 174.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -60.06 -58.14 9.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.066 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 81' ' ' ALA . 5.8 p -66.17 -29.43 46.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.072 0.463 . . . . 0.0 110.726 -178.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -70.23 -34.0 72.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.543 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 83' ' ' THR . 77.9 mt -66.83 -48.94 67.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.057 0.456 . . . . 0.0 110.133 174.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -69.16 -17.6 63.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.353 -175.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.16 -27.4 67.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.382 0.611 . . . . 0.0 110.162 174.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.523 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -118.67 -58.78 0.27 Allowed Glycine 0 N--CA 1.441 -1.006 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.574 -178.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 11.4 t70 -64.27 107.31 1.29 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.7 p -85.02 -25.62 27.57 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.147 0.498 . . . . 0.0 110.175 -170.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -83.94 -23.92 30.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.148 -178.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 78.17 43.23 13.8 Favored Glycine 0 C--N 1.331 0.292 0 CA-C-N 115.837 -0.62 . . . . 0.0 113.314 172.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.629 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 7.4 p-10 -98.05 19.64 13.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.914 0.388 . . . . 0.0 111.723 -175.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.41 29.01 51.09 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 120.642 -0.789 . . . . 0.0 113.47 173.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.573 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 10.8 ptpt -145.34 177.88 8.5 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-O 121.23 0.538 . . . . 0.0 109.793 -178.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.598 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 9.3 mm -113.56 105.29 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 CA-C-N 114.869 -1.06 . . . . 0.0 108.735 166.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.68 138.1 48.41 Favored Glycine 0 N--CA 1.433 -1.558 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 169.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.671 HG13 ' CG ' ' A' ' 48' ' ' PHE . 3.3 t -55.81 -48.21 78.5 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 CA-C-O 120.971 0.415 . . . . 0.0 110.75 -178.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -68.99 -33.54 73.83 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.204 0.526 . . . . 0.0 110.042 176.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.523 ' HB3' ' C ' ' A' ' 90' ' ' GLY . 5.4 mm-40 -59.27 -43.56 92.5 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.551 177.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.598 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . 30.6 t80 -66.3 -45.04 81.76 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.875 -177.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.19 -32.49 60.16 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.858 -0.686 . . . . 0.0 111.694 178.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.77 -32.71 73.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.569 -0.316 . . . . 0.0 111.687 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.5 ptp -81.62 -21.67 38.12 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.666 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.456 HD11 ' CD2' ' A' ' 103' ' ' PHE . 64.1 mt -76.66 -37.65 29.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 122.041 0.924 . . . . 0.0 108.967 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.406 ' HD2' ' C ' ' A' ' 108' ' ' LYS . 0.7 OUTLIER -83.55 -27.55 29.22 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.244 -1.343 . . . . 0.0 109.886 178.854 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.255 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.825 -178.691 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . 0.626 'CA ' ' OE2' ' A' ' 63' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . 0.629 'CA ' ' OD1' ' A' ' 95' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.12 166.29 23.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.041 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.466 ' CE1' ' HA ' ' A' ' 72' ' ' SER . 70.3 m-85 -86.6 49.87 1.89 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.133 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 70.0 142.58 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.255 -175.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.07 6.03 5.84 Favored Glycine 0 C--N 1.331 0.263 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.443 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.6 mt -56.09 -37.74 50.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.503 0.668 . . . . 0.0 109.222 169.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.445 ' HB2' HD13 ' A' ' 12' ' ' ILE . 4.3 pp -125.08 157.58 35.93 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.985 178.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.442 HD22 ' N ' ' A' ' 8' ' ' ASN . 0.9 OUTLIER -101.82 123.77 46.34 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 172.396 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -55.11 -30.06 58.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.134 0.492 . . . . 0.0 110.202 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.43 -33.97 63.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.746 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.471 ' OD1' ' HA ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -80.78 -39.23 27.15 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.252 0.548 . . . . 0.0 110.055 -176.611 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.445 HD13 ' HB2' ' A' ' 7' ' ' LEU . 1.4 mp -60.18 -47.05 93.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.321 172.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.5 m -64.17 -31.9 73.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.24 95.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.793 0.33 . . . . 0.0 111.193 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.18 -38.22 75.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.951 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.709 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 92.4 mt -68.95 -23.09 64.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.8 0.333 . . . . 0.0 110.922 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.22 -30.31 48.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.13 0.491 . . . . 0.0 110.25 174.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.83 -30.96 64.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.166 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.709 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 26.7 p -100.84 21.64 13.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.674 177.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -70.88 -34.54 71.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.165 0.507 . . . . 0.0 110.161 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.97 138.53 38.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.532 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -63.17 130.89 46.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.011 0.434 . . . . 0.0 110.42 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.97 -21.19 38.11 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.028 -176.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.4 t -87.57 15.96 6.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.509 0.671 . . . . 0.0 110.053 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.425 ' HA ' ' HB2' ' A' ' 19' ' ' CYS . 81.1 m-85 -80.02 97.12 6.67 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.391 177.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -105.59 92.65 4.28 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -52.32 -34.93 49.32 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.354 0.597 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.527 ' O ' HG22 ' A' ' 32' ' ' THR . 57.1 tttp -76.49 -48.75 18.5 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.506 -176.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.459 ' HA ' ' CG2' ' A' ' 32' ' ' THR . . . -60.0 -32.25 70.69 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.102 177.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.418 ' O ' HG22 ' A' ' 34' ' ' VAL . 62.1 t80 -55.9 -56.3 22.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.337 174.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.409 ' CD2' ' HA ' ' A' ' 107' ' ' ILE . 26.1 m-85 -63.13 -41.45 99.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.917 -176.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 28' ' ' LYS . 4.8 t -76.45 -21.62 55.67 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.527 -178.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -79.84 -48.58 13.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.653 0.263 . . . . 0.0 110.731 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.471 ' HA ' ' OD1' ' A' ' 11' ' ' ASP . 30.1 m -74.5 -12.32 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-O 120.941 0.4 . . . . 0.0 111.194 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.46 19.65 58.11 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.531 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.477 HD11 HG21 ' A' ' 47' ' ' VAL . 17.5 tp -83.17 6.89 17.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.166 0.507 . . . . 0.0 110.793 -176.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.56 -10.49 31.94 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 170.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.91 23.09 11.24 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 121.435 0.636 . . . . 0.0 111.086 -177.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -74.98 173.44 10.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.489 179.764 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.42 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 19.4 m -103.97 160.12 27.12 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.638 171.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 40' ' ' SER . 1.3 Cg_endo -44.31 -47.8 10.44 Favored 'Trans proline' 0 CA--C 1.535 0.56 0 C-N-CA 123.315 2.677 . . . . 0.0 114.02 -178.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.6 -31.38 72.58 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.726 0.298 . . . . 0.0 111.635 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.671 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 47.1 m-20 -67.85 -42.63 81.1 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 179.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.443 HD13 ' HA ' ' A' ' 44' ' ' ILE . 4.9 mm -70.52 -27.79 32.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.786 177.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 4.2 tppp? -60.89 -45.63 93.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.312 . . . . 0.0 110.727 177.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.671 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -70.89 -26.38 63.2 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.881 178.392 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.56 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 83.3 t -66.79 -35.78 75.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.901 0.381 . . . . 0.0 110.493 173.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.424 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 18.0 m-30 -57.97 -40.62 81.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.231 0.539 . . . . 0.0 110.219 173.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.91 -27.39 67.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.482 174.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.651 HG12 ' O ' ' A' ' 46' ' ' LYS . 22.7 mm -64.27 -50.09 78.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.537 -175.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.876 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -67.32 -34.9 71.92 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.287 -178.894 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.51 ' HA ' ' HG2' ' A' ' 63' ' ' GLU . 14.0 t0 -82.92 78.78 9.46 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.9 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.58 ' H ' ' HG3' ' A' ' 63' ' ' GLU . 5.5 tp60 -46.39 -46.59 18.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.289 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.661 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 0.1 OUTLIER -94.37 -12.57 27.66 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.593 -175.608 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.412 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 81.5 tttt 59.92 63.76 1.4 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 122.308 1.051 . . . . 0.0 111.178 -178.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.6 t -105.92 20.21 19.3 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.607 -1.179 . . . . 0.0 109.61 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.9 p30 52.13 17.81 0.75 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.712 1.205 . . . . 0.0 111.856 -175.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -150.05 115.36 5.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.427 176.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.876 HG11 ' HB ' ' A' ' 51' ' ' ILE . 50.3 t -93.75 98.4 8.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.372 -172.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.556 ' O ' ' HB2' ' A' ' 63' ' ' GLU . 78.9 mm-40 -84.31 -173.42 4.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.395 -178.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.403 ' HG3' HD11 ' A' ' 87' ' ' LEU . 37.1 tt0 -72.17 -36.07 69.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.149 -0.344 . . . . 0.0 110.677 179.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.87 -23.16 67.18 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.114 0.483 . . . . 0.0 109.889 176.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.58 ' HG3' ' H ' ' A' ' 53' ' ' GLN . 0.5 OUTLIER -64.06 -58.82 5.53 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.854 172.178 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.511 ' HG ' ' CD2' ' A' ' 87' ' ' LEU . 4.5 mm? -61.62 -19.42 62.23 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.979 -174.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.608 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -65.05 -57.16 9.37 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.084 0.469 . . . . 0.0 110.739 176.861 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 68.3 mt -103.21 4.71 37.05 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -176.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.52 ' HD2' HG22 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -61.6 -26.85 68.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.959 0.885 . . . . 0.0 108.718 177.828 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 65' ' ' LYS . 1.2 mt -65.84 -37.4 86.12 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.629 -1.169 . . . . 0.0 110.325 178.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.505 ' HA ' ' O ' ' A' ' 72' ' ' SER . 83.4 mm-40 -74.67 -14.94 60.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.897 177.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.522 ' HB2' ' OE1' ' A' ' 53' ' ' GLN . 63.9 t30 -85.95 -19.48 30.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.292 174.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -96.83 -33.4 11.67 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.639 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.505 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 13.2 p -163.72 151.65 13.0 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.287 -179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.27 -14.79 39.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.703 0.287 . . . . 0.0 111.73 -176.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -105.1 19.08 41.39 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.42 168.12 19.36 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.015 0.436 . . . . 0.0 111.3 -178.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.507 ' O ' HD13 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -115.51 130.31 56.83 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -178.85 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.477 ' HA ' ' CD1' ' A' ' 68' ' ' LEU . . . -72.74 128.09 34.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.148 0.499 . . . . 0.0 111.595 -178.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.41 HD13 HD11 ' A' ' 68' ' ' LEU . 9.4 mp -79.28 149.44 31.82 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.937 177.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 80' ' ' ASP . 8.2 p -177.56 75.68 0.02 OUTLIER 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.341 0.591 . . . . 0.0 111.874 176.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.46 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 18.2 t70 176.69 -145.98 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.447 ' H ' ' CG ' ' A' ' 80' ' ' ASP . . . -66.28 -16.43 64.02 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -177.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -33.02 24.18 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 120.205 -0.598 . . . . 0.0 109.714 -170.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.62 -37.68 85.38 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 171.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.502 ' HE2' ' HA ' ' A' ' 84' ' ' LYS . 11.8 mmpt? -59.05 -59.24 5.79 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.937 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 81' ' ' ALA . 48.9 t -64.9 -39.61 86.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.333 -176.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -68.35 -34.7 76.57 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.625 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.569 HD23 HG12 ' A' ' 98' ' ' ILE . 58.2 mt -67.8 -50.78 55.03 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.802 0.334 . . . . 0.0 110.305 174.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -66.35 -17.09 64.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.795 -176.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.37 -31.89 71.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.122 0.487 . . . . 0.0 109.9 172.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.545 ' O ' ' HB3' ' A' ' 102' ' ' GLU . . . -102.6 -49.04 1.22 Allowed Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.379 177.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.662 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 14.1 t0 -59.46 97.74 0.04 OUTLIER 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.022 0.439 . . . . 0.0 110.373 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.8 m -98.94 -8.89 24.84 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.25 0.548 . . . . 0.0 109.594 178.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.626 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 11.9 m-20 -87.84 -19.87 26.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.839 -175.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.25 33.04 29.86 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 -173.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.711 ' OD1' ' HG2' ' A' ' 97' ' ' LYS . 3.2 p30 -95.7 -15.74 22.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.493 -0.354 . . . . 0.0 111.653 -175.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.83 27.78 52.65 Favored Glycine 0 N--CA 1.454 -0.155 0 C-N-CA 121.121 -0.562 . . . . 0.0 112.941 175.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.711 ' HG2' ' OD1' ' A' ' 95' ' ' ASP . 10.9 ptpt -148.38 178.13 8.85 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -178.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.659 ' O ' ' HB ' ' A' ' 59' ' ' VAL . 16.0 mm -103.32 108.02 23.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.019 0.437 . . . . 0.0 110.717 176.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -66.65 137.53 34.63 Favored Glycine 0 N--CA 1.436 -1.354 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 166.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 42.4 t -57.03 -48.76 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 116.997 0.398 . . . . 0.0 110.825 -176.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -69.36 -31.81 70.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.943 0.401 . . . . 0.0 110.438 176.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.545 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 35.4 mt-10 -63.5 -37.04 85.76 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.704 177.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.53 ' O ' HG13 ' A' ' 107' ' ' ILE . 41.0 t80 -65.05 -48.52 73.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.248 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -54.09 -39.49 63.7 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.952 177.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.08 -37.97 89.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.703 -0.248 . . . . 0.0 111.375 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.0 ptp -70.54 -24.93 62.89 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.556 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 103' ' ' PHE . 59.9 mt -75.39 -34.1 29.35 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 CA-C-O 121.935 0.874 . . . . 0.0 109.521 -179.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -90.25 -8.72 50.29 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.363 -1.29 . . . . 0.0 111.144 -178.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.833 0 CA-C-O 118.488 -0.767 . . . . 0.0 110.971 179.555 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . 0.661 'CA ' ' OD1' ' A' ' 54' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . 0.651 'CA ' ' OD2' ' A' ' 95' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 120.895 0.379 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.2 128.85 13.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.77 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -152.89 125.77 8.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.089 0.471 . . . . 0.0 110.043 177.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.71 -11.07 59.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.833 -176.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.0 -25.62 10.6 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.91 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.9 mt -53.66 -51.92 38.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 173.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.523 HD13 ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -120.0 137.41 54.1 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.341 173.695 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.463 ' HB2' ' HB2' ' A' ' 11' ' ' ASP . 12.6 m-80 -94.4 114.49 26.54 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 175.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -51.67 -39.48 58.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.81 -178.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.93 -35.4 74.52 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.369 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.463 ' HB2' ' HB2' ' A' ' 8' ' ' ASN . 1.6 t0 -72.4 -48.72 39.26 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.349 0.595 . . . . 0.0 109.829 -177.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -55.23 -53.94 29.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.4 176.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 92.7 m -54.38 -34.85 62.05 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.741 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.4 ' HB3' ' HZ2' ' A' ' 33' ' ' LYS . . . -64.99 -45.88 83.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.185 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.527 ' HB2' ' CD ' ' A' ' 33' ' ' LYS . . . -60.33 -41.64 93.95 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.825 174.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.474 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 4.0 mm? -56.82 -45.16 82.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 177.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.58 -25.68 66.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.046 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.66 -43.64 22.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.861 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.474 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 22.7 p -78.75 -8.33 58.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.418 ' O ' ' HD2' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -65.25 -38.32 89.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.543 178.38 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.3 114.54 3.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.034 -178.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -60.65 130.14 45.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.506 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.03 -13.06 64.21 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.283 -177.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.1 t -126.8 49.37 2.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.642 0.734 . . . . 0.0 109.867 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.431 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 8.5 p90 -104.84 129.36 53.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.562 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.46 88.63 2.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.579 0.704 . . . . 0.0 110.719 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.616 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 3.6 t60 -68.35 -29.57 68.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.722 -177.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.433 ' O ' HG22 ' A' ' 32' ' ' THR . 65.4 tttp -65.61 -41.59 92.58 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 175.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.483 ' HA ' ' CG2' ' A' ' 32' ' ' THR . . . -62.37 -31.34 71.98 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.991 177.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.616 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 61.4 t80 -55.92 -50.25 71.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.618 174.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -63.58 -45.94 88.11 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.165 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.483 ' CG2' ' HA ' ' A' ' 29' ' ' ALA . 2.8 t -75.99 -22.73 55.53 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -174.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.527 ' CD ' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -81.48 -35.97 29.87 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 122.284 -0.26 . . . . 0.0 110.727 -179.028 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.5 m -86.61 -12.39 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-O 121.229 0.538 . . . . 0.0 110.52 177.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.08 30.15 43.45 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.379 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.478 HD11 HG21 ' A' ' 47' ' ' VAL . 9.7 tp -76.33 -29.12 57.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 111.147 -176.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.14 -17.0 62.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.891 0.377 . . . . 0.0 111.005 -177.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -108.76 26.24 10.79 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.532 ' HD2' ' OD2' ' A' ' 43' ' ' ASP . 38.2 mmtm -89.52 161.72 16.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.114 0.483 . . . . 0.0 111.251 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.0 m -79.53 150.33 73.1 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.045 -178.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -47.55 -55.05 4.3 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.117 2.544 . . . . 0.0 113.935 -176.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.463 ' O ' ' HB3' ' A' ' 45' ' ' LYS . . . -63.54 -30.59 71.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 0.0 111.381 -177.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.595 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 33.2 t70 -73.5 -46.56 47.16 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.97 0.414 . . . . 0.0 110.328 178.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.45 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 0.1 OUTLIER -63.08 -21.82 29.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.13 0.491 . . . . 0.0 110.209 174.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 3.7 tppp? -67.67 -43.88 79.15 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.15 175.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.717 ' O ' HG13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -69.59 -24.73 63.72 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.48 176.527 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.589 ' HA ' HD12 ' A' ' 50' ' ' ILE . 98.4 t -63.78 -39.7 86.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 171.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.855 ' HA ' HD11 ' A' ' 51' ' ' ILE . 18.7 m-30 -61.03 -29.39 69.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.512 177.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.679 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 7.2 pt-20 -84.5 -15.38 46.13 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.003 176.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.717 HG13 ' O ' ' A' ' 46' ' ' LYS . 46.9 mt -71.02 -40.12 75.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.305 177.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.855 HD11 ' HA ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -63.46 -26.89 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 120.091 -0.643 . . . . 0.0 109.542 177.175 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.605 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 32.9 t0 -86.09 72.45 10.42 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 175.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.424 ' OE1' ' HB3' ' A' ' 66' ' ' LEU . 6.0 tt0 -53.13 -38.3 62.56 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.592 0.711 . . . . 0.0 110.981 -177.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -77.09 -19.09 57.49 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.774 -178.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt 56.46 63.08 2.08 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.581 0.705 . . . . 0.0 111.282 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.455 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -123.79 5.53 8.78 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.804 -177.398 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.455 ' HB2' ' O ' ' A' ' 56' ' ' SER . 4.3 m-20 76.79 7.64 3.17 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 124.019 0.824 . . . . 0.0 110.619 -178.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -134.91 121.83 21.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.296 176.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.832 HG11 ' HB ' ' A' ' 51' ' ' ILE . 84.8 t -103.19 111.4 32.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.306 -176.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -93.55 -175.5 3.8 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -77.99 -50.17 12.64 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 122.549 0.34 . . . . 0.0 110.871 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -65.32 -21.48 66.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.087 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.71 -37.48 82.31 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.242 171.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.633 ' HA ' ' HB3' ' A' ' 67' ' ' PHE . 0.2 OUTLIER -72.3 -20.26 61.53 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.596 -179.793 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.421 ' O ' HD23 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -64.23 -47.86 78.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.943 0.401 . . . . 0.0 110.547 175.046 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.424 ' HB3' ' OE1' ' A' ' 53' ' ' GLN . 1.9 mp -101.48 4.69 41.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.226 0.536 . . . . 0.0 111.441 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.633 ' HB3' ' HA ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -53.34 -32.6 49.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.46 172.788 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.706 HD22 ' H ' ' A' ' 68' ' ' LEU . 1.9 mm? -66.12 -42.3 89.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.036 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -66.99 -20.33 65.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.032 0.444 . . . . 0.0 110.115 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -83.53 -28.7 28.46 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -78.51 -53.91 6.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.572 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.9 m -152.41 137.89 17.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.701 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.64 -25.95 67.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.813 -174.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -96.51 12.62 66.22 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.814 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.79 137.42 33.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.926 0.393 . . . . 0.0 110.707 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.568 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 30.5 mmt180 -75.97 138.01 40.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.225 -178.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.467 ' HA ' HD23 ' A' ' 68' ' ' LEU . . . -68.06 117.32 9.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.001 0.429 . . . . 0.0 110.263 177.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.521 ' HB3' ' HG3' ' A' ' 82' ' ' GLU . 75.5 mt -68.73 113.65 6.39 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.936 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.6 m -125.18 167.19 15.17 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.736 -171.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 63.73 -131.09 0.41 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.278 -0.873 . . . . 0.0 111.541 174.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.65 -26.03 64.21 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.216 -172.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.695 ' O ' ' HB2' ' A' ' 86' ' ' PHE . 11.3 tp10 -57.17 -50.39 72.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 177.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.905 ' O ' ' HB3' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -70.48 -51.22 30.58 Favored 'General case' 0 C--O 1.206 -1.223 0 C-N-CA 119.41 -0.916 . . . . 0.0 110.463 177.602 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -50.85 -53.89 28.49 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.321 -0.862 . . . . 0.0 111.45 -176.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.0 t -76.79 -49.02 24.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 120.921 0.391 . . . . 0.0 111.89 -175.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.695 ' HB2' ' O ' ' A' ' 82' ' ' GLU . 24.1 m-85 -87.14 -19.24 28.77 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -169.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.905 ' HB3' ' O ' ' A' ' 83' ' ' THR . 0.0 OUTLIER -80.7 -28.61 36.64 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 170.154 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -78.36 -16.17 57.95 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.5 171.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.6 -37.05 62.62 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.236 0.541 . . . . 0.0 110.544 176.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.639 ' O ' ' HB3' ' A' ' 102' ' ' GLU . . . -87.12 -50.87 3.52 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.233 176.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.484 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 31.4 t0 -60.32 98.74 0.06 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.393 0.616 . . . . 0.0 110.347 -178.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.5 m -92.23 -27.18 17.8 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.023 -171.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.622 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 11.3 p-10 -86.94 -7.1 58.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.614 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 64.88 44.18 95.0 Favored Glycine 0 C--N 1.332 0.33 0 CA-C-N 115.218 -0.901 . . . . 0.0 113.119 173.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -96.55 -17.44 20.46 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 121.218 -0.193 . . . . 0.0 111.135 -175.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.02 30.01 5.58 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.16 -1.019 . . . . 0.0 112.961 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 15.7 ptmt -144.29 172.51 12.83 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.661 ' O ' ' HB ' ' A' ' 59' ' ' VAL . 1.8 mm -106.18 104.02 16.35 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 165.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.413 ' HA3' ' HG3' ' A' ' 102' ' ' GLU . . . -64.39 137.32 40.0 Favored Glycine 0 N--CA 1.427 -1.925 0 N-CA-C 108.739 -1.745 . . . . 0.0 108.739 168.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.613 HG13 ' CG ' ' A' ' 48' ' ' PHE . 3.2 t -55.93 -43.0 73.38 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 CA-C-O 121.348 0.594 . . . . 0.0 110.47 -179.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -69.32 -36.94 77.46 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.342 175.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.639 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 21.6 mt-10 -62.74 -37.32 86.12 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.578 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.502 ' HB2' HG23 ' A' ' 98' ' ' ILE . 47.1 t80 -66.07 -46.39 77.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.803 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.35 -37.76 66.71 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.026 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.66 91.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.589 -0.306 . . . . 0.0 111.429 178.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.9 ptp -72.28 -26.08 61.84 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.656 -177.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.474 HD11 ' CE2' ' A' ' 103' ' ' PHE . 54.9 mt -74.28 -35.18 39.33 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 CA-C-O 121.906 0.86 . . . . 0.0 109.263 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -94.02 -9.33 37.17 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.339 -1.301 . . . . 0.0 111.214 -174.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.632 -0.699 . . . . 0.0 111.026 -179.056 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . 0.605 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . 0.622 'CA ' ' OD1' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.7 118.81 13.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.368 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 55.73 52.02 11.54 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.141 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 66.45 2.02 2.3 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.327 177.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 76.83 9.87 86.33 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.18 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.463 ' O ' ' HE3' ' A' ' 39' ' ' LYS . 40.2 mm -65.23 -40.1 87.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 174.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.51 ' O ' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -138.07 144.34 40.89 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.842 178.453 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -86.34 106.61 17.51 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -48.9 -38.73 23.51 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.786 -176.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.0 88.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.688 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.32 -38.58 78.3 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 120.728 0.299 . . . . 0.0 111.321 -177.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.448 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.8 mp -59.55 -51.88 67.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 174.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.8 m -54.74 -36.48 64.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.256 176.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.71 -32.6 72.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.884 0.373 . . . . 0.0 111.192 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.12 -42.38 69.31 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 174.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 12' ' ' ILE . 4.5 mm? -59.09 -35.2 72.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.446 174.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.69 -33.68 75.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.358 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.35 -18.39 60.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.959 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 24' ' ' SER . 26.3 p -121.71 30.57 6.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.218 0.532 . . . . 0.0 110.444 177.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -77.79 -31.48 51.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.102 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.03 125.95 33.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.479 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.08 130.14 44.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.037 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.97 3.86 87.49 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.396 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.474 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 41.1 t -125.2 68.24 1.13 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.185 0.517 . . . . 0.0 109.866 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -125.11 144.33 50.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.074 -177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.405 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 9.5 t70 -137.08 98.45 3.75 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 173.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.451 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 2.1 p80 -57.25 -32.36 66.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.695 -176.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.482 ' O ' HG22 ' A' ' 32' ' ' THR . 69.7 tttt -79.03 -43.09 24.96 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.193 -174.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.559 ' O ' ' HB2' ' A' ' 33' ' ' LYS . . . -56.69 -36.79 70.04 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.689 174.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.451 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 74.1 t80 -55.01 -55.11 34.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.631 175.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.414 ' CD2' ' HA ' ' A' ' 107' ' ' ILE . 16.7 m-85 -66.6 -43.74 84.01 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.648 -176.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 28' ' ' LYS . 9.8 t -73.07 -23.96 60.62 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.507 -176.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.559 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 75.3 tttt -74.79 -46.06 39.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.872 0.368 . . . . 0.0 110.23 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.5 m -84.13 -9.84 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.695 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.16 35.08 31.26 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.329 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.463 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -82.03 -32.76 30.33 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.646 -0.326 . . . . 0.0 111.193 -177.577 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.28 -17.77 64.95 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.266 0.555 . . . . 0.0 110.234 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.38 1.64 41.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.519 178.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 38.0 mmtm -70.17 144.02 52.1 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.218 0.532 . . . . 0.0 111.184 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.5 m -79.26 161.63 67.07 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.454 -177.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -44.09 -46.45 11.18 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.165 2.577 . . . . 0.0 113.662 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.01 -44.54 96.51 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.003 0.43 . . . . 0.0 111.37 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.618 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 18.8 m-20 -64.53 -45.7 86.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.277 0.561 . . . . 0.0 109.712 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.432 HG23 ' CE1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -62.84 -32.83 57.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.214 179.405 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 2.9 tppp? -64.86 -44.78 88.63 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 120.677 0.275 . . . . 0.0 111.243 -178.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.649 ' O ' HG13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -67.76 -27.99 67.24 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.133 -0.627 . . . . 0.0 109.559 178.238 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 43' ' ' ASP . 93.2 t -65.67 -40.43 87.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.264 175.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.613 ' HA ' HD11 ' A' ' 51' ' ' ILE . 12.8 m-30 -55.29 -34.28 63.98 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.401 174.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -81.78 -15.94 52.62 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.081 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.649 HG13 ' O ' ' A' ' 46' ' ' LYS . 60.1 mt -73.41 -40.32 56.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 O-C-N 122.004 -0.435 . . . . 0.0 111.595 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.613 HD11 ' HA ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -66.34 -19.18 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-O 121.641 0.734 . . . . 0.0 109.047 175.687 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.557 ' HB2' HG12 ' A' ' 59' ' ' VAL . 30.7 t0 -100.27 61.47 1.07 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.837 -1.074 . . . . 0.0 108.994 174.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.469 ' HA ' ' ND2' ' A' ' 70' ' ' ASN . 2.0 pt20 -53.64 -35.32 60.86 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.134 0.492 . . . . 0.0 111.392 -174.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.73 ' HB3' ' OE2' ' A' ' 63' ' ' GLU . 6.0 t70 -76.47 -18.97 58.5 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.849 -178.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.3 tptm 64.76 64.8 0.65 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 122.099 0.952 . . . . 0.0 111.493 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.459 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -117.75 1.16 12.14 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.108 -175.71 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 56' ' ' SER . 4.1 m-20 74.41 -1.41 3.08 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.754 0.822 . . . . 0.0 110.764 -176.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -139.3 129.08 24.74 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.728 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 0.7 OUTLIER -99.8 122.72 51.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.447 0.641 . . . . 0.0 110.316 -177.59 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -94.75 179.54 5.21 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.853 176.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -69.84 -40.92 75.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.789 0.328 . . . . 0.0 110.703 178.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -60.56 -30.64 69.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.326 178.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.73 ' OE2' ' HB3' ' A' ' 54' ' ' ASP . 49.4 mt-10 -73.82 -34.8 64.72 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.684 176.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.644 ' HG ' HD21 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -69.04 -27.1 65.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.995 0.426 . . . . 0.0 110.804 177.03 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.449 ' HB3' HD22 ' A' ' 66' ' ' LEU . 11.4 mptt -62.86 -52.87 61.43 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.776 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.485 HD12 ' NE2' ' A' ' 69' ' ' GLN . 1.3 mm? -100.32 6.7 44.62 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 -178.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.46 ' CD1' HG22 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -49.44 -36.36 22.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.491 0.662 . . . . 0.0 109.3 170.331 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.671 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.3 mm? -62.67 -45.65 91.83 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.295 178.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.485 ' NE2' HD12 ' A' ' 66' ' ' LEU . 79.4 mt-30 -72.27 -8.37 54.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.762 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.469 ' ND2' ' HA ' ' A' ' 53' ' ' GLN . 64.5 t30 -95.66 -23.54 16.97 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -80.84 -48.19 12.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.137 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.5 m -150.3 144.05 25.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.717 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.64 -21.58 63.54 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -168.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -105.55 2.24 39.52 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.25 -0.976 . . . . 0.0 112.591 -177.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.09 142.89 56.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.03 0.443 . . . . 0.0 111.385 -176.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.538 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 21.7 mmt180 -82.31 147.74 28.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.259 -176.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.66 127.82 34.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.886 0.374 . . . . 0.0 110.94 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.4 mp -77.11 141.23 40.3 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.349 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.615 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 53.5 m -143.21 167.98 20.84 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.718 -0.219 . . . . 0.0 110.476 176.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 59.93 -130.85 0.97 Allowed 'General case' 0 C--O 1.236 0.342 0 O-C-N 123.432 0.458 . . . . 0.0 111.407 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.23 -33.15 73.86 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.191 -170.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.615 ' HG2' ' O ' ' A' ' 79' ' ' SER . 1.9 pm0 -67.4 -25.41 65.93 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.161 -175.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.597 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 1.5 m -78.48 -45.85 21.1 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.06 -0.656 . . . . 0.0 109.56 174.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -64.19 -46.18 85.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.348 -175.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.8 t -70.65 -37.81 70.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.81 0.338 . . . . 0.0 110.344 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -63.72 -36.55 84.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.473 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.706 ' HA ' HD11 ' A' ' 98' ' ' ILE . 97.7 mt -64.38 -51.19 64.5 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 174.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -62.23 -17.15 57.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.411 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.4 -31.51 72.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.773 0.321 . . . . 0.0 110.744 177.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -121.72 -43.36 0.42 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.495 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.525 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 24.6 t0 -66.79 112.94 4.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.951 0.405 . . . . 0.0 110.405 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.4 t -98.14 -7.7 29.01 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.06 -175.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.603 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 0.8 OUTLIER -94.76 -21.23 18.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.579 -174.269 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 78.83 36.19 29.43 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.385 -177.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -79.2 -20.4 48.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.087 0.47 . . . . 0.0 110.166 -176.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.51 28.94 41.59 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 -171.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.728 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 6.8 ptmt -143.15 174.5 10.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.753 -0.723 . . . . 0.0 109.494 -171.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.706 HD11 ' HA ' ' A' ' 87' ' ' LEU . 25.0 mm -115.14 105.31 18.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 167.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.55 137.21 50.41 Favored Glycine 0 N--CA 1.436 -1.358 0 N-CA-C 108.403 -1.879 . . . . 0.0 108.403 167.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.5 m -55.08 -46.71 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.113 0 CA-C-N 117.774 0.787 . . . . 0.0 111.57 -173.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -78.8 -17.56 55.54 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.275 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.413 ' CD ' ' HA ' ' A' ' 91' ' ' ASP . 25.9 mt-10 -68.83 -36.25 77.96 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 172.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.661 ' CE2' HD11 ' A' ' 107' ' ' ILE . 23.6 t80 -64.69 -48.58 74.18 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.086 178.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.63 -36.62 65.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.106 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.79 -36.95 83.58 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.529 0.196 . . . . 0.0 111.529 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.413 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 5.4 ptp -74.28 -24.56 59.27 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.705 -178.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.661 HD11 ' CE2' ' A' ' 103' ' ' PHE . 64.7 mt -78.81 -31.84 15.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.639 0.733 . . . . 0.0 109.794 -178.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.85 -12.61 41.38 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.728 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.735 -0.65 . . . . 0.0 111.413 -178.784 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . 0.603 'CA ' ' OD2' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.9 ttt . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.52 0.2 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.457 ' HB2' ' OD1' ' A' ' 9' ' ' ASP . . . -127.69 131.21 49.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.26 -178.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.6 t80 46.93 76.52 0.1 Allowed 'General case' 0 C--O 1.236 0.368 0 O-C-N 124.285 0.991 . . . . 0.0 111.571 175.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 64.94 16.31 10.45 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.3 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.44 22.26 63.33 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.399 -177.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.0 mt -67.87 -34.78 69.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.456 HD13 ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -138.97 157.93 45.12 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.347 175.592 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -100.96 137.58 39.15 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.457 ' OD1' ' HB2' ' A' ' 2' ' ' ALA . 8.5 m-20 -53.82 -38.35 64.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.438 0.637 . . . . 0.0 109.527 174.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.07 -46.15 65.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.19 -177.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.431 ' OD1' ' HA ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -72.76 -41.41 65.12 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.06 0.457 . . . . 0.0 110.757 -174.282 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.463 HD12 HG22 ' A' ' 34' ' ' VAL . 1.4 tp -60.94 -39.26 81.48 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.995 177.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.3 m -75.9 -33.84 59.93 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.919 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.17 -51.64 68.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.877 0.37 . . . . 0.0 110.981 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.444 ' HB2' ' HG3' ' A' ' 33' ' ' LYS . . . -63.71 -44.29 94.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.813 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.682 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 88.8 mt -67.58 -19.02 65.2 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.489 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.66 -34.08 40.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.582 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.76 -34.55 58.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.461 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.682 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 29.4 p -94.09 26.37 3.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -78.93 -12.21 60.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.232 0.539 . . . . 0.0 109.684 177.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.429 ' HB3' ' HB2' ' A' ' 24' ' ' SER . . . -77.26 124.52 27.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.152 176.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -57.82 113.23 1.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.605 -175.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.78 0.22 66.74 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.049 -0.595 . . . . 0.0 112.562 176.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.429 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 33.1 m -113.36 79.61 1.26 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.1 0.476 . . . . 0.0 110.668 -179.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -115.35 110.23 19.07 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.89 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.4 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 5.6 p-10 -83.15 80.74 8.96 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.073 0.464 . . . . 0.0 109.998 178.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.465 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 36.1 p-80 -53.34 -46.58 69.56 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.948 -173.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.402 ' O ' HG22 ' A' ' 32' ' ' THR . 84.2 tttt -73.37 -48.93 30.13 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.817 -173.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.511 ' HA ' ' CG2' ' A' ' 32' ' ' THR . . . -61.64 -31.0 71.07 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.043 176.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.698 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 80.4 t80 -54.7 -53.38 55.72 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.315 0.384 . . . . 0.0 110.74 177.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.425 ' CD2' ' HA ' ' A' ' 107' ' ' ILE . 56.1 m-85 -67.22 -34.53 77.68 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -176.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.511 ' CG2' ' HA ' ' A' ' 29' ' ' ALA . 4.9 t -81.76 -24.61 35.94 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.69 -178.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.556 ' HG2' ' O ' ' A' ' 30' ' ' PHE . 12.9 ptmt -85.74 -21.67 28.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.41 0.624 . . . . 0.0 109.779 176.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.698 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -90.75 -16.95 8.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.373 -179.755 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.26 8.51 64.38 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.902 -0.666 . . . . 0.0 113.09 176.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.435 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 16.1 tp -87.1 6.99 29.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.213 0.53 . . . . 0.0 110.577 -177.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.35 -14.42 26.9 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 172.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -124.42 31.93 5.62 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.635 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.495 ' HE2' HD12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -83.97 179.54 7.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.754 178.79 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 m -101.03 153.39 37.76 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 171.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -45.55 -46.28 14.9 Favored 'Trans proline' 0 C--O 1.237 0.46 0 C-N-CA 123.211 2.607 . . . . 0.0 114.014 -175.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.94 -32.97 74.69 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.591 ' O ' HG23 ' A' ' 47' ' ' VAL . 24.6 m-20 -63.31 -48.14 79.3 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.123 0.487 . . . . 0.0 109.729 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.495 HD12 ' HE2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -63.64 -27.98 44.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.493 179.441 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 20.8 tptm -64.22 -46.45 83.83 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.939 0.399 . . . . 0.0 110.595 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.69 ' O ' HG13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -72.12 -24.1 61.42 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.401 179.533 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.615 ' HA ' HD12 ' A' ' 50' ' ' ILE . 59.8 t -67.35 -35.97 75.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 173.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.68 ' HA ' HD11 ' A' ' 51' ' ' ILE . 17.5 m-30 -58.21 -38.67 77.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.751 174.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.587 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 4.8 pt-20 -77.29 -14.04 59.82 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.662 178.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.69 HG13 ' O ' ' A' ' 46' ' ' LYS . 60.0 mt -71.7 -46.01 63.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 119.132 -0.461 . . . . 0.0 112.23 177.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.68 HD11 ' HA ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -61.51 -20.61 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-O 121.458 0.647 . . . . 0.0 109.662 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.442 ' HB2' HG12 ' A' ' 59' ' ' VAL . 15.7 t0 -104.16 76.8 1.37 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.083 -0.962 . . . . 0.0 108.695 173.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.541 ' OE1' ' HB2' ' A' ' 66' ' ' LEU . 18.6 pt20 -56.4 -37.13 69.72 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.35 0.595 . . . . 0.0 110.489 -176.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.748 ' HB3' ' OE2' ' A' ' 63' ' ' GLU . 6.0 t70 -79.03 -19.81 50.53 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.107 176.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt 56.97 63.43 1.93 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 122.41 1.1 . . . . 0.0 110.901 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -92.22 2.66 56.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 113.977 -1.465 . . . . 0.0 110.098 179.391 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.493 ' HB2' ' O ' ' A' ' 56' ' ' SER . 9.1 m-20 75.04 3.64 4.16 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.761 -171.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -148.33 129.78 14.84 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.259 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.679 ' CG2' ' H ' ' A' ' 98' ' ' ILE . 0.9 OUTLIER -88.94 126.91 41.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.72 0.771 . . . . 0.0 110.114 -175.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -93.3 161.64 14.32 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.141 176.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -69.04 -40.31 78.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 118.465 0.575 . . . . 0.0 110.668 -176.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -65.36 -27.09 68.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.042 0.449 . . . . 0.0 110.05 178.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.748 ' OE2' ' HB3' ' A' ' 54' ' ' ASP . 96.5 mt-10 -72.15 -45.02 62.14 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.136 174.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.584 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 0.3 OUTLIER -67.62 -18.95 65.16 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.288 0.566 . . . . 0.0 110.591 -178.791 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.544 ' O ' HD12 ' A' ' 68' ' ' LEU . 10.3 mptt -63.56 -53.63 48.73 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.198 0.523 . . . . 0.0 110.213 173.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.565 HD22 HE21 ' A' ' 69' ' ' GLN . 36.2 mt -100.82 5.82 43.59 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.838 -174.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.606 ' HD2' HG22 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -58.92 -26.37 64.28 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 176.336 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 65' ' ' LYS . 2.7 mt -63.14 -45.0 94.0 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.385 178.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.565 HE21 HD22 ' A' ' 66' ' ' LEU . 40.1 mt-30 -72.79 -14.69 61.58 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.451 ' HB3' ' O ' ' A' ' 67' ' ' PHE . 49.8 t30 -80.32 -25.95 39.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.067 176.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.483 ' HB2' HG21 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -89.59 -47.46 7.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.452 176.578 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.559 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 71.1 m -147.23 128.39 14.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.024 178.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.42 -22.56 66.23 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -173.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -97.3 48.8 1.53 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.575 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -122.1 150.88 41.54 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.693 -0.298 . . . . 0.0 111.225 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.45 ' O ' HD13 ' A' ' 68' ' ' LEU . 1.4 mpt_? -96.27 136.41 36.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.223 178.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.493 ' HA ' ' CD1' ' A' ' 68' ' ' LEU . . . -78.79 125.12 28.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.86 0.362 . . . . 0.0 111.211 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.414 HD22 ' H ' ' A' ' 78' ' ' LEU . 1.6 mm? -76.42 150.13 36.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.721 177.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.6 m -144.3 145.79 32.22 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.955 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 72.12 -126.84 0.05 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.632 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.2 -30.72 71.27 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -168.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -71.67 -40.24 69.74 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.092 -177.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.7 m -73.62 -37.23 65.45 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 174.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -55.99 -59.32 5.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.069 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.16 -39.98 85.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.172 -177.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -65.77 -37.97 87.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.486 HD23 HG12 ' A' ' 98' ' ' ILE . 77.3 mt -64.22 -48.0 77.52 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 174.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -65.49 -16.84 64.06 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -176.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.3 -34.66 72.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.37 0.605 . . . . 0.0 109.989 173.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.495 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -106.52 -53.82 0.71 Allowed Glycine 0 N--CA 1.443 -0.896 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.168 176.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.678 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 20.9 t0 -59.92 101.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 122.889 0.476 . . . . 0.0 110.474 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 17.4 t -97.02 -24.02 15.99 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.165 0.507 . . . . 0.0 110.496 -175.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.655 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 9.6 p-10 -86.85 -9.36 55.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.026 -175.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.64 53.03 4.18 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 121.125 -0.56 . . . . 0.0 114.172 171.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.488 ' OD1' ' HG2' ' A' ' 97' ' ' LYS . 3.5 p30 -108.88 -22.31 12.25 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.92 0.36 . . . . 0.0 111.739 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.15 25.66 21.15 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.674 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.678 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 11.1 ptmt -136.86 174.95 10.07 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 177.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.679 ' H ' ' CG2' ' A' ' 59' ' ' VAL . 11.8 mm -109.0 108.38 25.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 C-N-CA 120.085 -0.646 . . . . 0.0 109.949 172.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -59.5 137.29 50.03 Favored Glycine 0 N--CA 1.431 -1.667 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 167.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.574 HG13 ' CG ' ' A' ' 48' ' ' PHE . 15.2 t -56.84 -38.92 61.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 CA-C-O 121.381 0.61 . . . . 0.0 110.675 -177.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -73.13 -33.32 65.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.225 175.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.495 ' HB3' ' C ' ' A' ' 90' ' ' GLY . 6.2 mm-40 -59.78 -40.9 89.81 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.081 175.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.606 ' CE2' HD11 ' A' ' 107' ' ' ILE . 22.5 t80 -64.51 -52.33 58.37 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.94 -177.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -53.8 -37.97 58.52 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.169 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.38 -33.87 71.92 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.9 ptp -74.04 -26.08 60.21 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.723 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.606 HD11 ' CE2' ' A' ' 103' ' ' PHE . 78.4 mt -74.56 -43.24 48.54 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.584 0 CA-C-O 122.038 0.923 . . . . 0.0 109.228 -177.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.442 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 0.3 OUTLIER -81.41 -27.28 34.83 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.04 -1.436 . . . . 0.0 109.986 179.642 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.148 -0.93 . . . . 0.0 111.279 179.513 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . 0.655 'CA ' ' OD1' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtm . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.523 0.202 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.9 9.24 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.581 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -110.41 -77.82 0.59 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.783 -0.189 . . . . 0.0 110.706 -176.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 58.59 25.63 13.43 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 70.98 -1.2 25.56 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 121.088 -0.577 . . . . 0.0 113.169 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.2 mm -65.02 -31.28 53.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.689 0.757 . . . . 0.0 109.388 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.446 ' O ' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -144.49 145.29 31.79 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.14 175.766 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.409 ' HB2' ' HB2' ' A' ' 11' ' ' ASP . 12.5 m120 -93.36 110.18 21.73 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -52.37 -37.09 55.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.035 -176.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.13 96.57 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.631 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.409 ' HB2' ' HB2' ' A' ' 8' ' ' ASN . 1.4 t0 -69.88 -45.37 67.79 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.35 0.595 . . . . 0.0 109.894 -177.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.453 HG12 ' CD1' ' A' ' 71' ' ' PHE . 1.8 mp -55.35 -52.96 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.228 174.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.3 m -57.91 -32.48 67.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.517 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.48 -53.05 61.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.824 0.345 . . . . 0.0 110.74 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.512 ' HB2' ' CD ' ' A' ' 33' ' ' LYS . . . -58.59 -38.55 78.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.215 175.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 16' ' ' LEU . 3.4 mm? -59.25 -41.44 88.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.862 0.363 . . . . 0.0 110.93 176.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.2 -23.0 65.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.871 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.5 -29.76 30.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.346 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.7 p -110.92 30.37 6.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.16 0.505 . . . . 0.0 111.506 -178.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -82.96 18.07 1.74 Allowed 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 120.979 0.419 . . . . 0.0 111.073 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.83 130.89 20.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.347 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.35 131.72 46.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.989 0.423 . . . . 0.0 109.955 178.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.79 -24.07 33.62 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -170.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.2 t -109.83 38.55 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 176.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.59 ' HB2' ' OE2' ' A' ' 82' ' ' GLU . 22.7 p90 -96.53 122.22 39.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.858 -177.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.38 83.54 1.97 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.586 0.708 . . . . 0.0 110.529 177.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.56 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 6.1 p-80 -68.93 -31.98 71.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.532 -178.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.468 ' O ' HG22 ' A' ' 32' ' ' THR . 65.1 tttp -66.84 -41.61 87.12 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.472 ' HA ' ' CG2' ' A' ' 32' ' ' THR . . . -59.65 -32.52 70.53 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.374 175.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.654 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 83.5 t80 -57.24 -52.5 65.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.064 177.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -68.06 -37.98 81.91 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.504 -177.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.472 ' CG2' ' HA ' ' A' ' 29' ' ' ALA . 8.2 t -79.62 -26.14 41.24 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -174.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -77.34 -28.64 53.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.465 0.65 . . . . 0.0 109.332 176.145 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.654 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -94.01 -21.99 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.807 -169.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.55 22.35 34.43 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.298 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.494 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 10.0 tp -84.31 -20.27 32.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.686 0.279 . . . . 0.0 111.328 -176.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.459 ' HA ' HG22 ' A' ' 107' ' ' ILE . . . -79.91 -13.6 59.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.903 0.383 . . . . 0.0 111.121 -176.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -113.97 38.01 3.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.312 0.577 . . . . 0.0 110.038 176.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.468 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 48.9 mmtt -94.89 158.52 15.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.527 0.679 . . . . 0.0 112.436 -176.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.9 m -89.27 163.51 33.71 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.178 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -48.4 -50.54 11.99 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.221 2.614 . . . . 0.0 113.897 -175.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.09 -34.77 78.31 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.897 0.38 . . . . 0.0 111.68 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.572 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 1.3 m-20 -67.95 -50.65 54.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.348 0.594 . . . . 0.0 109.411 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 44' ' ' ILE . 16.4 mm -66.79 -28.47 43.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.98 179.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 21.3 tptm -59.86 -48.33 82.14 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.342 0.591 . . . . 0.0 110.797 177.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.706 ' O ' HG13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -73.87 -20.71 60.34 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.004 179.213 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.573 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 73.6 t -68.31 -39.4 80.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.004 0.43 . . . . 0.0 109.842 172.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.592 ' CG ' HG13 ' A' ' 100' ' ' VAL . 19.8 m-30 -52.99 -41.35 64.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.54 173.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.684 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 7.2 pt-20 -79.95 -14.94 58.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.27 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.706 HG13 ' O ' ' A' ' 46' ' ' LYS . 66.0 mt -67.06 -49.32 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.679 176.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.778 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -62.3 -36.9 76.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 177.77 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.652 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 38.3 t0 -83.85 64.64 8.19 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.301 176.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.552 HE21 ' HA ' ' A' ' 63' ' ' GLU . 15.8 pt20 -57.58 -30.46 65.29 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.407 0.622 . . . . 0.0 110.854 -173.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -80.85 -19.62 44.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.811 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.8 tptp 59.8 63.77 1.42 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 122.899 0.48 . . . . 0.0 111.377 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.39 13.4 3.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.13 -177.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.3 t70 74.28 -2.96 2.66 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.669 0.788 . . . . 0.0 111.435 178.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -118.93 138.68 52.61 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 173.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.778 HG11 ' HB ' ' A' ' 51' ' ' ILE . 43.3 t -129.1 88.42 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -174.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.531 ' HG2' ' H ' ' A' ' 61' ' ' GLU . 21.9 tt0 -87.32 172.89 9.52 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 122.461 -0.149 . . . . 0.0 110.9 -176.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.531 ' H ' ' HG2' ' A' ' 60' ' ' GLU . 40.2 tt0 -57.49 -43.62 84.26 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -175.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -55.9 -30.62 61.87 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.907 0.384 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.552 ' HA ' HE21 ' A' ' 53' ' ' GLN . 36.1 mt-10 -69.78 -39.91 76.35 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.759 177.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.553 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 3.5 mp -69.82 -18.91 63.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.89 0.376 . . . . 0.0 111.729 178.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.622 ' O ' HD12 ' A' ' 68' ' ' LEU . 1.5 mptm? -65.41 -49.15 70.31 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.075 0.465 . . . . 0.0 110.19 174.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.3 mt -104.09 3.34 33.05 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -177.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.627 ' HD2' HG22 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -65.91 -26.02 67.42 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 175.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.622 HD12 ' O ' ' A' ' 65' ' ' LYS . 1.6 mt -67.73 -38.82 84.08 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 114.07 -1.423 . . . . 0.0 109.911 176.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' ' 72' ' ' SER . 19.5 mm-40 -69.2 -17.33 63.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.121 177.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -80.42 -41.52 24.37 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 173.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.453 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -62.04 -48.62 79.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.335 176.752 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 47.9 t -146.87 137.3 23.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.51 177.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.4 -1.95 29.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.739 -177.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -118.75 28.88 6.53 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.952 177.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.41 158.98 16.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.028 0.442 . . . . 0.0 111.172 -177.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.407 ' O ' HD13 ' A' ' 68' ' ' LEU . 34.2 mmt180 -102.73 142.96 33.01 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.28 118.15 17.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.087 0.47 . . . . 0.0 110.937 -178.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.96 152.28 44.9 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.733 176.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.5 m -145.46 164.39 31.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.011 0.434 . . . . 0.0 111.843 -173.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 56.55 -131.55 1.63 Allowed 'General case' 0 C--O 1.237 0.412 0 CA-C-N 114.969 -1.014 . . . . 0.0 112.417 172.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.14 -26.69 68.46 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.388 -170.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.59 ' OE2' ' HB2' ' A' ' 25' ' ' PHE . 4.9 tp10 -63.41 -65.46 0.68 Allowed 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.589 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -60.68 -31.61 70.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.59 0.233 . . . . 0.0 110.971 -176.594 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -51.71 37.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.808 0.337 . . . . 0.0 110.968 -177.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 99.6 t -71.28 -36.38 61.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.201 0.524 . . . . 0.0 110.064 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -62.7 -35.56 80.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.469 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.615 HD23 HG12 ' A' ' 98' ' ' ILE . 53.1 mt -61.02 -47.96 83.99 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.737 0.303 . . . . 0.0 110.307 172.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.413 ' HA ' ' HB3' ' A' ' 91' ' ' ASP . 32.1 mmtp -69.57 -19.28 63.68 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -176.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.64 -26.0 66.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.142 0.496 . . . . 0.0 110.12 173.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.575 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -120.23 8.84 11.22 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.956 178.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.413 ' HB3' ' HA ' ' A' ' 88' ' ' LYS . 41.2 t0 -107.67 99.04 8.56 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 167.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.425 ' H ' ' CD ' ' A' ' 102' ' ' GLU . 24.2 m -93.46 -21.52 19.44 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.235 0.54 . . . . 0.0 110.714 -174.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.59 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 12.9 p-10 -95.25 -17.55 21.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.38 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.11 52.1 4.74 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.851 175.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -106.16 -2.69 22.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.554 0.216 . . . . 0.0 111.191 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.34 30.15 10.34 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 120.775 -0.726 . . . . 0.0 113.357 173.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 11.5 pttm -156.93 170.75 21.79 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -174.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.615 HG12 HD23 ' A' ' 87' ' ' LEU . 20.0 mm -89.16 124.27 41.82 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 169.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.418 ' HA3' ' HG3' ' A' ' 102' ' ' GLU . . . -85.73 136.09 13.99 Favored Glycine 0 N--CA 1.433 -1.558 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 172.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.592 HG13 ' CG ' ' A' ' 48' ' ' PHE . 2.9 t -56.48 -49.87 75.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-O 120.859 0.362 . . . . 0.0 110.682 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -66.65 -29.89 70.03 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.135 0.493 . . . . 0.0 110.828 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.575 ' HB2' ' O ' ' A' ' 90' ' ' GLY . 13.0 mt-10 -77.27 -33.14 55.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.77 -176.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.575 ' O ' ' HB3' ' A' ' 106' ' ' MET . 47.0 t80 -72.78 -35.04 67.34 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 122.846 0.458 . . . . 0.0 110.42 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.35 -47.52 90.39 Favored Glycine 0 C--O 1.237 0.324 0 C-N-CA 120.169 -1.015 . . . . 0.0 110.92 174.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.89 -23.91 66.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.255 -0.473 . . . . 0.0 110.253 175.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.575 ' HB3' ' O ' ' A' ' 103' ' ' PHE . 10.9 ttm -66.26 -48.9 68.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.296 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.485 HD11 ' CE2' ' A' ' 103' ' ' PHE . 45.5 mt -69.99 -34.39 59.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.968 0.89 . . . . 0.0 109.263 -174.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.437 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 4.9 tmmm? -77.96 -25.26 48.09 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.271 -1.331 . . . . 0.0 110.93 -178.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.441 -0.79 . . . . 0.0 111.369 -178.017 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . 0.652 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . 0.59 'CA ' ' OD1' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.9 mtm . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 121.077 0.465 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.53 137.48 53.79 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.819 176.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.489 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 30.0 t80 -109.62 -173.64 2.31 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -178.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.06 158.87 2.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.86 0.362 . . . . 0.0 110.801 174.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.15 25.72 1.25 Allowed Glycine 0 N--CA 1.453 -0.183 0 CA-C-N 115.992 -0.549 . . . . 0.0 113.18 -175.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.0 mt -68.31 -38.23 79.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.823 0.82 . . . . 0.0 108.835 172.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.506 HD13 ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -136.79 147.72 46.79 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.3 178.454 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -101.09 114.35 28.21 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.714 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.65 -29.42 64.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.754 -176.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.76 -41.48 95.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.187 176.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.78 -40.15 79.81 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.012 0.434 . . . . 0.0 110.495 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.508 HG12 ' CE2' ' A' ' 71' ' ' PHE . 1.8 mp -59.41 -47.09 91.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.908 174.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.4 m -62.28 -36.27 81.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.892 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.83 -52.99 62.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.988 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.87 82.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.592 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.418 HD13 ' CB ' ' A' ' 75' ' ' ALA . 39.4 mt -70.46 -42.57 71.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.525 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.67 -17.14 61.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.108 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.76 -33.83 71.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.037 0.446 . . . . 0.0 110.439 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 24' ' ' SER . 35.3 m -127.08 41.96 3.42 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.826 -174.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -81.37 53.73 2.14 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.073 0.463 . . . . 0.0 111.712 -176.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.15 139.66 17.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.494 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.53 122.51 14.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.401 178.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.579 ' H ' ' CD ' ' A' ' 82' ' ' GLU . . . 99.49 -5.56 58.75 Favored Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.544 -177.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.455 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 21.6 t -118.28 -16.59 9.65 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -175.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -56.94 121.45 9.95 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.95 0.405 . . . . 0.0 111.834 -176.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.463 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 13.9 m-20 -105.8 93.89 4.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.88 178.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -61.05 -36.27 79.13 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.816 0.817 . . . . 0.0 110.796 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.503 ' HG3' ' CE2' ' A' ' 31' ' ' PHE . 87.0 tttt -76.21 -49.53 16.91 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 114.617 -1.174 . . . . 0.0 110.027 -175.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.463 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . . . -56.06 -34.79 66.26 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.219 176.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.666 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 91.9 t80 -57.34 -59.55 4.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.071 177.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.503 ' CE2' ' HG3' ' A' ' 28' ' ' LYS . 1.2 p90 -60.28 -37.52 80.73 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.309 0.576 . . . . 0.0 111.38 -174.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.471 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 11.2 t -87.22 -29.12 21.95 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.588 -169.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -81.17 -30.21 34.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.797 0.808 . . . . 0.0 109.547 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.666 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -78.19 -35.57 20.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 114.185 -1.37 . . . . 0.0 111.261 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.71 16.07 27.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.647 -177.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.458 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 11.5 tp -74.26 -15.14 60.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.13 0.49 . . . . 0.0 110.367 -175.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.541 ' HA ' HG22 ' A' ' 107' ' ' ILE . . . -76.31 -5.39 46.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.543 -178.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -118.62 29.31 7.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.728 ' HD3' ' OD2' ' A' ' 43' ' ' ASP . 11.3 mmpt? -84.06 135.59 34.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.917 0.389 . . . . 0.0 110.156 178.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.2 m -70.31 156.5 91.77 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.119 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -45.42 -53.94 4.94 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.109 2.54 . . . . 0.0 113.769 -177.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 45' ' ' LYS . . . -69.08 -26.56 64.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.296 0.57 . . . . 0.0 111.229 -178.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.728 ' OD2' ' HD3' ' A' ' 39' ' ' LYS . 25.1 t0 -74.91 -37.04 62.18 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.299 0.571 . . . . 0.0 109.534 178.067 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.437 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 4.1 mm -66.7 -24.18 32.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.892 170.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.61 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 4.1 tppp? -69.63 -36.05 75.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.671 177.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.607 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -74.93 -22.33 58.66 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 119.447 -0.901 . . . . 0.0 109.403 173.679 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.57 ' HA ' HD12 ' A' ' 50' ' ' ILE . 95.5 t -68.81 -33.82 61.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 171.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.61 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -51.55 -49.31 62.28 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.895 168.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -61.85 -21.17 64.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.65 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 47' ' ' VAL . 64.9 mt -73.16 -54.4 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.209 175.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.816 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -67.65 -30.57 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 118.804 0.729 . . . . 0.0 109.345 177.858 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.648 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 26.5 t0 -84.15 74.32 10.3 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.427 176.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.406 ' OE1' ' HB2' ' A' ' 66' ' ' LEU . 64.6 tt0 -56.18 -36.87 68.84 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.448 0.642 . . . . 0.0 110.761 -176.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -82.47 -19.19 39.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.845 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.489 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 52.6 tptt 59.12 67.69 0.89 Allowed 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 121.929 0.871 . . . . 0.0 112.139 172.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.1 p -142.05 23.53 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.904 176.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.1 t70 78.54 -1.46 2.44 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.907 0.883 . . . . 0.0 111.509 174.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -121.98 121.01 36.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.864 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.816 HG11 ' HB ' ' A' ' 51' ' ' ILE . 77.9 t -107.56 96.35 4.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.779 0.323 . . . . 0.0 111.202 -176.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.434 ' O ' HD12 ' A' ' 64' ' ' LEU . 45.0 mt-10 -93.14 176.13 6.52 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -70.82 -39.38 73.08 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -175.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -58.49 -31.61 68.02 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 67' ' ' PHE . 44.4 mt-10 -69.2 -55.21 11.26 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.243 173.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.508 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 0.5 OUTLIER -60.17 -18.53 48.63 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -176.709 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.495 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -68.44 -49.38 60.36 Favored 'General case' 0 N--CA 1.435 -1.224 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.286 174.402 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.472 HD22 HE21 ' A' ' 69' ' ' GLN . 30.9 mt -103.59 -1.02 28.9 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -175.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.523 ' CD2' HG22 ' A' ' 50' ' ' ILE . 1.5 p90 -59.86 -29.36 68.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.776 0.798 . . . . 0.0 109.058 -176.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -67.59 -45.34 75.8 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.283 -179.704 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.472 HE21 HD22 ' A' ' 66' ' ' LEU . 38.0 mt-30 -74.18 -8.09 54.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.018 -178.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -91.58 -32.55 15.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.312 173.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.508 ' CE2' HG12 ' A' ' 12' ' ' ILE . 5.9 t80 -72.82 -51.12 20.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.558 178.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.8 m -141.27 151.19 43.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.108 0.48 . . . . 0.0 110.771 -178.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.65 -20.98 49.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.774 -175.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -98.16 25.12 28.98 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.03 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.418 ' CB ' HD13 ' A' ' 16' ' ' LEU . . . -95.56 150.2 20.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.974 0.416 . . . . 0.0 111.393 -178.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -107.46 138.83 42.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.777 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -78.89 125.88 29.96 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 176.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.3 mp -77.3 150.78 35.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.786 -178.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.459 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 25.2 m -143.08 158.93 43.15 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.986 176.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.453 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 9.8 m-20 63.06 -140.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.501 0.501 . . . . 0.0 111.246 176.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.29 -20.22 65.28 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -171.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.579 ' CD ' ' H ' ' A' ' 23' ' ' GLY . 6.0 mm-40 -60.94 -53.47 56.83 Favored 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -177.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.587 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 1.4 m -64.71 -36.48 84.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.418 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 80' ' ' ASP . 11.6 mmpt? -58.44 -58.94 6.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.929 0.395 . . . . 0.0 110.439 -179.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.7 -36.2 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.74 -178.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -58.89 -42.28 89.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.21 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 83' ' ' THR . 96.9 mt -70.06 -50.36 41.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.311 176.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -58.65 -22.52 56.95 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.73 -31.46 66.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.068 0.461 . . . . 0.0 110.68 176.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.439 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -118.22 -50.38 0.34 Allowed Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.883 178.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.594 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 24.1 t0 -60.29 103.97 0.28 Allowed 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.4 m -95.87 -14.09 23.45 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.131 0.491 . . . . 0.0 110.029 -173.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.625 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 0.1 OUTLIER -78.08 -24.55 47.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.735 177.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 73.76 25.24 72.48 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.843 -174.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.454 ' OD2' ' HB3' ' A' ' 97' ' ' LYS . 1.5 p-10 -87.13 -9.02 56.36 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.513 -0.344 . . . . 0.0 110.794 -172.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.82 29.34 18.6 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.335 -0.936 . . . . 0.0 112.517 174.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.454 ' HB3' ' OD2' ' A' ' 95' ' ' ASP . 0.0 OUTLIER -142.84 156.83 45.01 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -177.251 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.558 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 14.4 mm -102.4 101.08 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.574 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.046 172.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.91 139.47 42.87 Favored Glycine 0 N--CA 1.432 -1.575 0 N-CA-C 107.716 -2.154 . . . . 0.0 107.716 162.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.421 ' CG2' ' HB2' ' A' ' 48' ' ' PHE . 97.4 t -62.44 -39.56 84.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 CA-C-N 117.755 0.778 . . . . 0.0 110.691 -174.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -63.07 -35.07 79.04 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.087 172.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.477 ' CD ' ' HA ' ' A' ' 91' ' ' ASP . 14.2 mt-10 -66.09 -41.07 91.14 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.94 176.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.558 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . 14.6 t80 -64.55 -46.55 82.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.378 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.48 -35.92 74.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.799 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.63 -22.57 63.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.533 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 8.1 ptp -87.63 -25.02 23.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.166 0.508 . . . . 0.0 109.862 177.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.541 HG22 ' HA ' ' A' ' 37' ' ' ALA . 85.1 mt -79.57 -42.21 22.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.863 0.84 . . . . 0.0 109.409 -178.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.463 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 0.9 OUTLIER -83.61 -30.17 27.15 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.568 -1.196 . . . . 0.0 109.764 179.568 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.136 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.981 -176.766 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . 0.648 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . 0.625 'CA ' ' OD2' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.4 ttp . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 121.012 0.434 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.16 44.64 0.96 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.475 -177.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -120.42 178.17 4.76 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.765 177.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.26 -30.84 69.05 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.939 0.4 . . . . 0.0 111.199 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.21 4.81 28.95 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.483 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.0 mt -58.46 -40.56 78.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.51 0.672 . . . . 0.0 109.385 174.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.513 HD13 ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -111.67 150.64 29.87 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.66 175.458 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -101.12 108.32 19.97 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -49.09 -38.27 24.1 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.423 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.27 -46.94 81.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.421 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.2 -37.95 78.37 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.938 0.399 . . . . 0.0 110.989 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.24 -47.21 94.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.752 174.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.6 m -58.95 -36.99 75.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.143 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.27 -47.53 83.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.199 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.36 -41.31 98.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.089 0.471 . . . . 0.0 110.302 177.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.4 HD13 ' HB1' ' A' ' 75' ' ' ALA . 92.2 mt -67.52 -19.59 65.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.158 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.71 -31.07 36.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.026 0.441 . . . . 0.0 110.51 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.43 -43.66 26.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.317 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.475 ' HB3' ' OE1' ' A' ' 82' ' ' GLU . 36.6 m -89.45 17.51 6.18 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.139 -177.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -74.38 -42.42 59.31 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.23 118.2 17.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.745 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -60.28 122.41 14.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.93 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.12 -26.28 14.13 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -175.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.8 m -96.97 48.86 1.06 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.351 0.596 . . . . 0.0 109.986 178.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.436 ' CE1' HG11 ' A' ' 85' ' ' VAL . 3.8 p90 -90.66 131.57 36.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.907 -174.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -138.9 91.85 2.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.882 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -61.43 -31.59 71.54 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.637 0.732 . . . . 0.0 109.899 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.605 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 88.7 tttt -68.22 -47.12 68.7 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.236 -177.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.22 -38.63 71.32 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.384 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -61.42 -54.35 44.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.081 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.605 ' CD2' ' HA ' ' A' ' 28' ' ' LYS . 1.8 p90 -65.91 -42.46 90.13 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.935 0.398 . . . . 0.0 111.471 -173.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.589 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 5.8 t -87.1 -21.73 25.83 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -168.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -74.7 -48.59 25.1 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.032 0.444 . . . . 0.0 110.469 177.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 m -78.48 -5.06 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.85 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.824 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.47 ' O ' ' HG2' ' A' ' 39' ' ' LYS . . . 71.16 34.57 64.46 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.45 -0.796 . . . . 0.0 112.318 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.499 HD12 ' HG3' ' A' ' 39' ' ' LYS . 22.0 tp -77.1 -29.41 54.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.784 0.326 . . . . 0.0 110.738 -177.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.536 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . . . -69.82 -21.51 63.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.021 0.438 . . . . 0.0 110.357 179.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.67 23.91 9.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.593 177.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.499 ' HG3' HD12 ' A' ' 36' ' ' LEU . 43.7 mmtm -97.16 150.26 21.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.101 0.477 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.412 ' OG ' ' HD2' ' A' ' 41' ' ' PRO . 8.5 t -80.44 151.3 71.82 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.426 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.412 ' HD2' ' OG ' ' A' ' 40' ' ' SER . 43.4 Cg_exo -38.91 -50.36 2.59 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.565 2.844 . . . . 0.0 114.296 -178.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.5 -40.22 78.19 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.592 ' O ' HG23 ' A' ' 47' ' ' VAL . 25.1 m-20 -65.97 -49.49 67.7 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.29 0.566 . . . . 0.0 109.565 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.9 mt -67.52 -26.98 36.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.219 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 25.2 mmtp -61.61 -45.76 92.71 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.793 0.33 . . . . 0.0 111.232 176.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.55 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -72.69 -24.74 61.05 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.019 179.32 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 43' ' ' ASP . 60.9 t -67.84 -33.68 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 173.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.82 ' HA ' HD11 ' A' ' 51' ' ' ILE . 20.6 m-30 -57.05 -40.02 75.99 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.342 0.592 . . . . 0.0 110.12 172.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.58 -24.08 66.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.993 177.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.532 ' CD1' ' HA ' ' A' ' 47' ' ' VAL . 45.7 mt -70.9 -45.13 74.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.82 HD11 ' HA ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -64.56 -24.8 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 176.85 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.613 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 20.2 t0 -87.07 62.87 7.6 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.236 173.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.96 -47.33 52.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.8 0.81 . . . . 0.0 109.915 -178.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.403 ' HB3' ' OE1' ' A' ' 63' ' ' GLU . 11.1 t70 -78.29 -15.03 59.16 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.606 -177.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.419 ' HD2' ' HA ' ' A' ' 55' ' ' LYS . 12.9 mmmm 59.29 64.63 1.32 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.98 0.895 . . . . 0.0 111.033 -178.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.416 ' C ' ' H ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -110.88 3.76 19.17 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.57 -1.196 . . . . 0.0 110.692 -173.713 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 56' ' ' SER . 31.9 m-20 72.47 -2.41 2.63 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.805 0.842 . . . . 0.0 109.826 -171.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.416 ' H ' ' C ' ' A' ' 56' ' ' SER . 95.8 m-85 -144.96 140.36 28.16 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.656 -1.156 . . . . 0.0 108.107 175.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.808 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 0.8 OUTLIER -99.26 126.67 52.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -179.726 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -91.89 172.72 8.27 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.595 175.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.88 -44.21 93.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.676 0.274 . . . . 0.0 110.485 177.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -65.83 -27.63 68.39 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.288 0.566 . . . . 0.0 110.006 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 67' ' ' PHE . 32.5 mt-10 -66.24 -37.53 85.73 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.273 174.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.579 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -70.65 -26.62 63.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.048 0.452 . . . . 0.0 110.829 178.567 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.657 ' O ' HD12 ' A' ' 68' ' ' LEU . 1.4 mptm? -63.01 -43.89 97.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.421 0.629 . . . . 0.0 110.422 176.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.8 mt -103.31 -0.42 30.26 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.191 -175.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.579 ' HD1' ' O ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -65.94 -25.38 67.1 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.511 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -67.27 -43.08 82.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.289 178.705 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -72.16 -15.0 61.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.571 177.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.418 ' ND2' ' HA ' ' A' ' 50' ' ' ILE . 51.5 t30 -87.44 -26.84 23.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.345 176.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -77.85 -46.17 22.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.57 -177.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.1 p -127.87 -169.3 2.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.297 -175.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.49 -44.0 25.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.731 0.3 . . . . 0.0 111.515 -177.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -146.62 98.81 0.2 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.95 -177.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.4 ' HB1' HD13 ' A' ' 16' ' ' LEU . . . -122.27 133.62 54.69 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.929 0.395 . . . . 0.0 111.522 -176.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.515 ' HD3' ' N ' ' A' ' 76' ' ' ARG . 0.6 OUTLIER -64.09 135.05 56.04 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.599 174.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.42 117.93 16.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.152 0.501 . . . . 0.0 110.639 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.527 ' HG ' ' HG2' ' A' ' 82' ' ' GLU . 6.6 mp -64.93 139.86 58.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.317 177.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.409 ' O ' ' HB3' ' A' ' 82' ' ' GLU . 48.2 t -146.74 170.46 16.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.578 -175.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 67.76 -149.5 0.16 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.714 175.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.706 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -58.09 -24.13 57.41 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -175.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.527 ' HG2' ' HG ' ' A' ' 78' ' ' LEU . 6.4 tp10 -55.91 -60.98 2.7 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 123.334 0.396 . . . . 0.0 110.637 -179.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.405 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -58.19 -33.14 68.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.623 0.249 . . . . 0.0 110.702 -177.691 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -62.7 -61.89 2.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.179 0.514 . . . . 0.0 111.409 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.706 HG12 ' O ' ' A' ' 81' ' ' ALA . 2.3 p -68.39 -35.59 71.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.73 -178.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -62.78 -42.62 99.78 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.229 178.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.499 HD23 HG12 ' A' ' 98' ' ' ILE . 61.4 mt -62.1 -44.74 96.0 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.993 0.425 . . . . 0.0 110.271 173.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -64.27 -16.97 63.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.738 -174.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.22 -37.58 69.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.195 0.521 . . . . 0.0 109.716 172.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.455 ' O ' ' HB3' ' A' ' 102' ' ' GLU . . . -104.87 -47.38 1.18 Allowed Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.557 178.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.559 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 10.4 t0 -59.33 101.35 0.1 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.332 0.586 . . . . 0.0 110.577 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.4 m -98.81 -7.74 26.97 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.762 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.631 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 6.4 m-20 -87.85 -24.29 23.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.797 -176.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.39 33.08 29.38 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 110.002 -1.239 . . . . 0.0 110.002 -169.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.662 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 6.7 p30 -91.39 -19.08 23.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.27 -0.465 . . . . 0.0 111.754 -175.089 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.02 28.27 54.53 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.129 178.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.808 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 10.1 ptmt -146.42 175.18 10.74 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -177.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.76 ' HB ' HG21 ' A' ' 59' ' ' VAL . 26.7 mm -109.0 105.25 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.098 0 C-N-CA 119.753 -0.779 . . . . 0.0 110.04 175.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.4 136.7 49.26 Favored Glycine 0 N--CA 1.43 -1.724 0 N-CA-C 108.188 -1.965 . . . . 0.0 108.188 166.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.667 HG13 ' CG ' ' A' ' 48' ' ' PHE . 5.6 t -57.73 -42.63 82.2 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 CA-C-O 121.514 0.673 . . . . 0.0 110.77 -176.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -67.72 -33.45 74.9 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.082 175.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.455 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 28.1 mt-10 -67.07 -34.01 76.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.64 178.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.722 ' O ' ' HG2' ' A' ' 106' ' ' MET . 51.8 t80 -62.27 -44.81 95.69 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -53.57 -43.81 67.8 Favored Glycine 0 CA--C 1.52 0.394 0 C-N-CA 120.122 -1.037 . . . . 0.0 111.507 175.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.35 97.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.502 -0.349 . . . . 0.0 111.84 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.722 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 17.8 ptm -72.73 -21.45 61.03 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 111.51 0.189 . . . . 0.0 111.51 -176.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.619 HG13 ' O ' ' A' ' 103' ' ' PHE . 69.9 mt -73.45 -37.01 49.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 122.136 0.97 . . . . 0.0 108.591 177.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.431 ' C ' ' HD2' ' A' ' 108' ' ' LYS . 4.0 tmmm? -86.5 -21.31 27.05 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 113.998 -1.455 . . . . 0.0 111.24 -178.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.772 -0.632 . . . . 0.0 111.776 -176.099 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . 0.613 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . 0.662 'CA ' ' OD2' ' A' ' 95' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 120.813 0.34 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.6 78.72 9.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.978 0.418 . . . . 0.0 110.321 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -136.28 33.2 2.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.186 0.517 . . . . 0.0 110.696 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 66.16 6.64 4.3 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.103 -0.953 . . . . 0.0 112.557 174.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 66.69 8.45 47.22 Favored Glycine 0 CA--C 1.519 0.293 0 CA-C-N 116.418 -0.355 . . . . 0.0 113.403 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.3 mt -70.21 -36.23 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.728 . . . . 0.0 109.386 176.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.577 HD13 ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -130.73 146.4 52.19 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.476 176.628 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -89.86 106.69 18.64 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.42 -30.83 65.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -175.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.8 -35.82 80.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.076 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.41 -41.25 63.52 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.114 0.483 . . . . 0.0 110.361 178.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.54 -48.41 87.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.845 173.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.1 m -62.44 -32.93 73.86 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.953 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.14 -49.67 68.98 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.872 0.368 . . . . 0.0 110.767 178.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.69 -43.92 90.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.783 176.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.9 -26.61 64.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.546 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.9 -28.29 66.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.056 0.455 . . . . 0.0 110.346 176.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.18 -41.91 14.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.267 0.556 . . . . 0.0 110.01 173.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 49.7 t -87.84 34.35 0.72 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.216 -176.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -102.06 -9.87 20.19 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.184 0.516 . . . . 0.0 109.833 173.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.3 114.55 11.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.994 -177.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.41 ' HA ' ' CZ ' ' A' ' 25' ' ' PHE . 41.1 mt-10 -62.06 126.47 27.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.2 178.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.61 2.75 84.49 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.363 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.9 m -148.85 71.62 1.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.245 0.545 . . . . 0.0 110.804 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.431 ' HB3' ' SG ' ' A' ' 19' ' ' CYS . 78.3 m-85 -108.47 148.76 29.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.997 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.764 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 8.0 m-20 -124.6 84.64 2.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.476 0.655 . . . . 0.0 110.269 176.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.511 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 7.3 t60 -68.12 -46.23 71.45 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.301 -175.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.506 ' HE3' ' O ' ' A' ' 109' ' ' ALA . 85.6 tttt -66.39 -46.48 76.51 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.072 178.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.764 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . . . -58.4 -32.03 68.24 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.406 178.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.511 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 91.3 t80 -56.26 -55.63 30.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.501 175.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -61.19 -43.0 99.57 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -177.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.446 ' CG2' ' HA ' ' A' ' 29' ' ' ALA . 3.9 t -75.84 -21.73 56.96 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.684 -177.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -81.94 -45.5 15.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.711 0.291 . . . . 0.0 110.963 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 30' ' ' PHE . 13.9 m -80.49 -10.79 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-O 121.027 0.441 . . . . 0.0 111.47 -179.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.9 25.97 56.89 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.58 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.0 tp -76.34 -14.46 60.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.219 0.533 . . . . 0.0 110.099 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.435 ' HA ' HG22 ' A' ' 107' ' ' ILE . . . -73.59 -12.47 60.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.213 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -103.04 26.8 7.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.987 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -94.81 139.79 30.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.278 0.561 . . . . 0.0 111.107 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.417 ' OG ' ' HD2' ' A' ' 41' ' ' PRO . 8.8 t -82.56 153.05 67.85 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.767 176.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.417 ' HD2' ' OG ' ' A' ' 40' ' ' SER . 68.3 Cg_exo -41.2 -36.55 2.5 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.109 2.539 . . . . 0.0 114.07 -177.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.39 -46.41 88.75 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.638 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 29.0 t70 -79.28 -26.91 42.25 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-O 121.222 0.534 . . . . 0.0 110.126 -177.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.473 HD13 ' HA ' ' A' ' 44' ' ' ILE . 9.1 mm -72.42 -21.81 20.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-O 121.42 0.629 . . . . 0.0 109.713 172.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.713 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 21.7 tptm -71.55 -39.37 70.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.573 175.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.638 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -69.9 -28.01 65.27 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.262 173.41 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 43' ' ' ASP . 69.7 t -63.79 -37.7 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.754 172.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.713 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -47.22 -50.56 20.75 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.02 0.438 . . . . 0.0 110.555 169.385 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -65.44 -17.75 64.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.824 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.647 ' HA ' ' ND2' ' A' ' 70' ' ' ASN . 28.3 mt -81.84 -46.31 19.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-O 119.375 -0.345 . . . . 0.0 111.759 176.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.775 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -67.18 -29.59 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 176.081 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -83.59 61.55 6.32 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 171.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.488 ' OE1' ' HB2' ' A' ' 70' ' ' ASN . 15.6 tp60 -45.35 -46.35 12.96 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.414 0.626 . . . . 0.0 111.524 -178.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.794 ' HB3' ' OE2' ' A' ' 63' ' ' GLU . 0.7 OUTLIER -79.65 -16.66 55.37 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.112 -0.949 . . . . 0.0 112.142 -177.575 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.7 mmmp? 63.65 65.5 0.73 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.479 0.656 . . . . 0.0 111.036 178.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.97 9.46 26.5 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.058 -176.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 63.52 14.4 8.0 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.702 0.763 . . . . 0.0 109.548 -171.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -151.54 132.28 14.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.17 -1.377 . . . . 0.0 107.581 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.775 HG11 ' HB ' ' A' ' 51' ' ' ILE . 72.2 t -97.46 111.9 28.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-O 121.074 0.464 . . . . 0.0 111.664 -175.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -92.98 179.41 5.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.598 -175.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -78.43 -45.37 22.43 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.966 0.412 . . . . 0.0 111.08 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 19.8 t70 -64.53 -19.15 65.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.563 0.697 . . . . 0.0 109.908 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.794 ' OE2' ' HB3' ' A' ' 54' ' ' ASP . 83.7 mt-10 -75.85 -36.19 59.69 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.674 174.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.412 ' HG ' ' CD1' ' A' ' 87' ' ' LEU . 3.2 mm? -66.13 -21.69 66.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.077 0.465 . . . . 0.0 110.232 175.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.503 ' O ' HD23 ' A' ' 68' ' ' LEU . 9.2 mptt -63.59 -52.76 59.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.269 175.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.406 HD22 ' HB3' ' A' ' 65' ' ' LYS . 1.3 mm? -100.93 4.69 42.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.956 0.408 . . . . 0.0 111.557 -177.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.541 ' CD1' HG22 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -50.96 -31.2 17.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.797 0.808 . . . . 0.0 109.636 174.014 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.57 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.7 mm? -63.91 -55.82 19.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.871 -1.059 . . . . 0.0 111.395 -177.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -74.15 -4.49 36.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.266 0.555 . . . . 0.0 110.221 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.647 ' ND2' ' HA ' ' A' ' 50' ' ' ILE . 64.1 t30 -89.09 -25.88 21.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.151 174.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -84.5 -39.83 18.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.953 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.7 p -143.36 162.22 36.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.14 -174.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.29 -9.26 55.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.766 -174.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -134.8 66.23 0.57 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.787 -0.721 . . . . 0.0 111.874 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.57 ' HB1' ' HB3' ' A' ' 68' ' ' LEU . . . -121.91 166.07 14.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.014 0.435 . . . . 0.0 111.833 -175.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.552 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 20.1 mmm180 -115.27 136.01 53.55 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.772 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.4 118.6 12.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.095 0.474 . . . . 0.0 110.687 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 69.3 mt -70.2 139.77 52.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.736 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.5 m -143.19 173.96 11.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.762 0.315 . . . . 0.0 111.573 -176.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.509 ' O ' ' HG3' ' A' ' 84' ' ' LYS . 6.2 t70 56.62 -146.18 0.58 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.644 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.716 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -50.67 -35.02 28.81 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -172.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.71 ' O ' ' HB2' ' A' ' 86' ' ' PHE . 17.4 tp10 -53.09 -50.18 64.93 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 123.191 0.307 . . . . 0.0 110.917 -176.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.794 ' O ' ' HB2' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -70.18 -28.02 64.98 Favored 'General case' 0 C--O 1.21 -1.017 0 C-N-CA 119.726 -0.79 . . . . 0.0 110.572 -179.005 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 80' ' ' ASP . 31.0 mtpt -78.4 -62.65 1.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.939 0.399 . . . . 0.0 111.447 -174.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.716 HG12 ' O ' ' A' ' 81' ' ' ALA . 2.8 p -69.99 -36.05 67.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.167 -175.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.71 ' HB2' ' O ' ' A' ' 82' ' ' GLU . 41.2 m-85 -85.02 -17.03 38.8 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -176.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.794 ' HB2' ' O ' ' A' ' 83' ' ' THR . 19.3 tp -63.86 -42.8 97.47 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 163.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 34.9 mmtp -75.06 -15.63 60.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.406 -178.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.58 -37.29 62.79 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 169.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.433 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -96.24 -58.33 1.09 Allowed Glycine 0 N--CA 1.438 -1.205 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.767 175.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.605 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 20.6 t0 -64.17 100.52 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.938 0.399 . . . . 0.0 110.773 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.3 m -97.17 -5.27 37.53 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.246 0.546 . . . . 0.0 109.841 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.619 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 0.3 OUTLIER -83.32 -26.24 30.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.753 -179.005 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.37 43.93 9.09 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.809 -176.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -109.43 -21.2 12.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.714 0.292 . . . . 0.0 111.665 -175.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.89 28.2 16.53 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.576 177.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.605 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 1.6 ptmm? -137.17 162.25 33.95 Favored 'General case' 0 CA--C 1.505 -0.755 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.491 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 16.1 mm -106.82 98.99 7.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 CA-C-O 121.395 0.617 . . . . 0.0 109.693 176.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.487 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -60.24 138.11 48.8 Favored Glycine 0 N--CA 1.43 -1.75 0 N-CA-C 108.399 -1.88 . . . . 0.0 108.399 165.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.487 ' CG2' ' HB2' ' A' ' 48' ' ' PHE . 84.3 t -65.82 -41.86 91.04 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-O 121.263 0.554 . . . . 0.0 110.388 -175.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.27 -33.75 72.76 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.154 171.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' A' ' 99' ' ' GLY . 9.2 mm-40 -68.82 -41.01 79.18 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.668 177.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.491 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . 25.9 t80 -65.6 -45.81 81.74 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.053 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.88 -34.81 72.74 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.559 176.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.96 89.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.853 -0.174 . . . . 0.0 111.202 178.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.444 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 7.7 ptp -74.69 -21.9 59.14 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.965 0.412 . . . . 0.0 110.469 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.461 HD11 ' CE2' ' A' ' 103' ' ' PHE . 71.7 mt -78.78 -38.34 21.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.89 0.853 . . . . 0.0 109.403 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -84.2 -22.99 30.71 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.508 -176.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.506 ' O ' ' HE3' ' A' ' 28' ' ' LYS . . . . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.163 -0.923 . . . . 0.0 110.468 178.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . 0.619 'CA ' ' OD1' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ptp . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 120.937 0.399 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.32 -28.6 59.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.912 -177.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.538 ' CE2' ' HB2' ' A' ' 9' ' ' ASP . 64.6 m-85 -117.45 137.17 52.69 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.756 177.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.16 4.15 27.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.393 -176.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 96.34 -9.66 67.21 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.7 -178.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.69 -36.29 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-O 121.491 0.662 . . . . 0.0 109.972 177.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.606 ' HG ' ' CE1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -138.32 140.07 39.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.391 -0.822 . . . . 0.0 108.991 172.255 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.446 HD22 ' N ' ' A' ' 8' ' ' ASN . 0.9 OUTLIER -97.26 113.72 25.38 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.206 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.538 ' HB2' ' CE2' ' A' ' 3' ' ' PHE . 9.2 t70 -49.6 -37.59 28.28 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.802 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.39 -33.47 73.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.616 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 1.2 t0 -82.55 -41.01 20.16 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.588 0.708 . . . . 0.0 110.15 -177.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.21 -46.44 96.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.756 175.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.6 m -59.76 -31.58 69.78 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.223 174.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 11' ' ' ASP . . . -66.07 -51.65 56.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.812 177.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.416 ' HB2' ' HD2' ' A' ' 33' ' ' LYS . . . -55.3 -41.61 72.55 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.815 0.34 . . . . 0.0 111.405 174.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 75' ' ' ALA . 47.6 mt -71.0 -36.17 72.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.376 -178.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.12 -22.91 59.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.137 0.494 . . . . 0.0 110.638 178.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.54 -22.31 61.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.413 0.625 . . . . 0.0 109.397 173.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.3 m -103.51 32.74 3.67 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.186 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -12.03 61.19 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.995 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.71 115.62 9.16 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.32 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -55.73 113.21 1.38 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.388 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.61 0.28 76.01 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.899 -0.667 . . . . 0.0 113.157 175.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.9 m -124.08 80.44 1.82 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.947 0.403 . . . . 0.0 110.807 -177.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -94.5 136.41 34.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.32 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -102.26 91.02 4.11 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.169 0.509 . . . . 0.0 109.733 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -25.41 61.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.945 -179.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.636 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 62.8 tttm -71.7 -51.4 23.1 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.692 -175.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.639 ' O ' ' HB3' ' A' ' 33' ' ' LYS . . . -55.82 -37.2 68.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.466 0.65 . . . . 0.0 110.169 175.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.54 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 66.2 t80 -67.04 -28.55 68.31 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.313 -177.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.66 ' CE1' ' HB ' ' A' ' 32' ' ' THR . 3.1 p90 -89.14 -49.48 6.72 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 119.743 -0.783 . . . . 0.0 111.753 175.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.66 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 4.6 t -86.64 -39.18 16.34 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -167.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.639 ' HB3' ' O ' ' A' ' 29' ' ' ALA . 5.8 tmtm? -80.99 -28.14 35.64 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.828 0.823 . . . . 0.0 108.996 -176.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.54 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 1.3 t -69.36 -33.6 58.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.146 169.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.0 22.96 28.84 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.133 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.556 HD12 ' HG3' ' A' ' 39' ' ' LYS . 20.8 tp -84.33 -20.93 31.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.648 0.261 . . . . 0.0 111.235 -176.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.473 ' HB2' ' HD1' ' A' ' 31' ' ' PHE . . . -64.29 -33.0 74.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.638 0.256 . . . . 0.0 111.467 -177.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.53 28.01 3.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.027 0.441 . . . . 0.0 111.179 -179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.556 ' HG3' HD12 ' A' ' 36' ' ' LEU . 44.0 mmtm -96.63 151.05 19.98 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.675 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 m -74.26 154.14 88.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.599 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -43.19 -46.47 9.25 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.069 2.513 . . . . 0.0 113.262 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.43 -41.79 85.85 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.728 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 69.7 m-20 -73.71 -39.41 64.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.519 0.676 . . . . 0.0 110.334 -177.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.5 mt -72.13 -25.06 23.06 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-O 121.151 0.501 . . . . 0.0 110.353 176.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 48.6 tptt -64.51 -43.96 92.43 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.868 176.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.728 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -66.22 -32.07 73.28 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.521 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.639 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 94.0 t -64.67 -32.78 59.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.895 173.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.767 ' HA ' HD11 ' A' ' 51' ' ' ILE . 17.0 m-30 -59.36 -30.39 68.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.376 0.608 . . . . 0.0 110.148 174.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.451 ' HB3' ' HD3' ' A' ' 55' ' ' LYS . 42.4 mt-10 -80.21 -19.06 47.84 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.963 174.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.7 HD13 ' O ' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -65.02 -45.89 93.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 177.727 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.77 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -64.84 -31.82 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 176.231 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.638 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 28.5 t0 -85.36 67.2 10.05 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.963 177.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -48.49 -46.71 38.58 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.272 0.558 . . . . 0.0 111.051 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -71.56 -18.85 62.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.995 -177.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.451 ' HD3' ' HB3' ' A' ' 49' ' ' GLU . 21.0 mmmt 56.0 64.32 1.76 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.12 0.486 . . . . 0.0 111.843 -178.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.4 p -130.25 10.49 5.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.781 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 73.59 -1.16 3.14 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.799 0.839 . . . . 0.0 111.623 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -118.52 122.76 43.46 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 174.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.771 ' HA ' ' OE1' ' A' ' 63' ' ' GLU . 15.7 t -115.5 94.75 3.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 120.585 0.231 . . . . 0.0 111.433 -172.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -92.7 179.95 5.34 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -172.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -69.52 -47.56 63.38 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.388 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 30.9 m-20 -62.11 -20.82 64.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.517 0.675 . . . . 0.0 110.039 -178.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.771 ' OE1' ' HA ' ' A' ' 59' ' ' VAL . 47.0 tt0 -80.65 -43.47 20.39 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.024 177.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.579 ' O ' ' HD2' ' A' ' 67' ' ' PHE . 0.5 OUTLIER -62.18 -18.1 60.01 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.574 175.726 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.49 ' HB3' HD22 ' A' ' 66' ' ' LEU . 11.2 mptt -55.0 -55.77 27.14 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.797 175.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.49 HD22 ' HB3' ' A' ' 65' ' ' LYS . 1.6 mm? -102.71 5.02 38.73 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.579 ' HD2' ' O ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -60.31 -29.99 69.2 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.031 -177.433 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.519 ' HG ' ' CE2' ' A' ' 67' ' ' PHE . 0.7 OUTLIER -71.7 -36.0 70.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.254 -178.634 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -77.61 -10.3 59.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.481 0.658 . . . . 0.0 109.403 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -86.77 -26.16 24.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.961 173.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.606 ' CE1' ' HG ' ' A' ' 7' ' ' LEU . 6.8 t80 -83.08 -51.95 7.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.199 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.1 m -142.0 173.56 11.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.262 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.63 -44.83 10.92 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -174.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.34 49.67 4.23 Favored Glycine 0 CA--C 1.512 -0.105 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.379 -176.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.46 ' HA ' HD13 ' A' ' 16' ' ' LEU . . . -104.21 161.93 13.62 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.076 0.465 . . . . 0.0 111.465 -176.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -110.38 132.43 54.18 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 177.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.3 117.04 14.56 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.129 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 43.2 mt -63.55 121.03 12.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.44 -177.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.516 ' O ' ' HG3' ' A' ' 82' ' ' GLU . 6.5 m -124.71 133.95 53.01 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 -177.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 64.73 -113.34 0.32 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.83 175.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.69 -26.09 65.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.879 0.371 . . . . 0.0 111.529 -172.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 79' ' ' SER . 7.5 mt-10 -64.27 -51.04 65.53 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.446 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -66.87 -42.94 84.79 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.287 177.465 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.428 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 56.5 tttm -57.03 -60.29 3.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.743 -177.144 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.8 t -65.59 -39.41 84.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.036 0.446 . . . . 0.0 110.918 -177.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -63.53 -41.73 98.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.131 -178.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.505 ' HA ' HD11 ' A' ' 98' ' ' ILE . 88.1 mt -62.63 -41.61 99.12 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 176.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 73.5 mmtt -65.32 -21.93 66.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.707 -177.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.79 -23.21 67.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.915 177.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.413 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -122.28 -51.56 0.23 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.928 -178.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.639 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 29.4 t70 -61.32 114.18 3.04 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.786 0.327 . . . . 0.0 111.037 -177.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.4 t -95.03 -13.47 25.19 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.029 0.442 . . . . 0.0 110.202 -176.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.643 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 0.9 OUTLIER -84.16 -26.0 29.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.424 -174.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.62 37.0 21.48 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.522 -176.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -103.34 -20.55 14.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.687 0.279 . . . . 0.0 111.325 -175.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.41 28.77 12.18 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.893 176.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.602 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 9.9 ptmt -132.92 171.82 13.43 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 179.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.598 ' O ' ' HB ' ' A' ' 59' ' ' VAL . 24.9 mm -112.56 100.05 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.398 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.777 172.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.11 141.33 48.12 Favored Glycine 0 N--CA 1.43 -1.72 0 N-CA-C 108.322 -1.911 . . . . 0.0 108.322 165.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.478 HG12 ' HB3' ' A' ' 48' ' ' PHE . 3.1 m -52.12 -45.65 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.275 0 CA-C-N 117.427 0.613 . . . . 0.0 111.762 -176.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -75.78 -25.6 56.56 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.437 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.413 ' HB3' ' C ' ' A' ' 90' ' ' GLY . 6.0 mm-40 -61.39 -42.66 99.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.742 174.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.592 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . 26.7 t80 -64.79 -42.58 94.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.225 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.1 -37.63 64.14 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.079 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.85 -33.52 75.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.882 -0.159 . . . . 0.0 111.426 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.426 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 6.3 ptp -82.97 -19.87 36.28 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.844 -177.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 103' ' ' PHE . 68.2 mt -78.23 -31.13 16.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 122.14 0.971 . . . . 0.0 109.147 176.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -92.44 -27.55 17.4 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.478 -174.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.657 -0.687 . . . . 0.0 110.941 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . 0.638 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . 0.643 'CA ' ' OD2' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptm . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.753 0.311 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.26 137.65 40.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.997 -177.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -130.11 150.58 51.31 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.822 177.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.26 144.16 30.83 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.79 3.07 4.1 Favored Glycine 0 C--N 1.331 0.288 0 O-C-N 123.278 0.361 . . . . 0.0 113.269 -176.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.7 mt -61.12 -33.36 55.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.418 0.628 . . . . 0.0 109.474 172.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.443 ' HB2' HD11 ' A' ' 12' ' ' ILE . 2.0 pt? -141.51 132.86 26.63 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.049 179.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -89.47 110.81 21.6 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -53.94 -31.28 49.87 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.301 -177.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.02 -41.68 77.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.818 176.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.56 -42.82 82.01 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 120.91 0.386 . . . . 0.0 110.823 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.443 HD11 ' HB2' ' A' ' 7' ' ' LEU . 1.7 mp -56.56 -49.58 77.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.799 175.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.6 m -61.77 -37.0 82.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.16 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.39 -56.34 23.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.592 0.234 . . . . 0.0 111.454 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.619 ' HB2' ' HG2' ' A' ' 33' ' ' LYS . . . -59.56 -40.62 87.91 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 178.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.416 HD13 ' HB1' ' A' ' 75' ' ' ALA . 71.3 mt -68.2 -32.45 72.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.313 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.492 ' HA ' ' NH1' ' A' ' 76' ' ' ARG . . . -69.53 -32.15 70.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.9 179.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.01 -3.88 44.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.399 0.619 . . . . 0.0 110.242 178.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.7 m -116.18 62.64 0.71 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.467 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 7.0 ttpm? -102.4 -26.19 13.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.103 0.478 . . . . 0.0 109.896 175.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.488 ' HB3' ' HB3' ' A' ' 24' ' ' SER . . . -70.44 127.41 32.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.939 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -62.4 119.97 10.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.838 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.69 2.12 67.57 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.48 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.488 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 32.9 t -126.39 58.15 1.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.271 0.558 . . . . 0.0 110.263 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.575 ' CD1' ' HG3' ' A' ' 82' ' ' GLU . 50.0 m-85 -102.39 103.79 14.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.202 176.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.595 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 7.8 m-20 -78.72 80.32 5.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.056 -177.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -62.99 -34.56 77.8 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.77 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.608 ' HG3' ' CE2' ' A' ' 31' ' ' PHE . 39.7 ttmt -71.34 -49.4 42.88 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.062 178.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.595 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . . . -53.3 -33.12 51.98 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.291 177.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.426 ' O ' HG22 ' A' ' 34' ' ' VAL . 76.6 t80 -60.66 -62.13 2.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.076 177.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.608 ' CE2' ' HG3' ' A' ' 28' ' ' LYS . 1.1 p90 -58.14 -35.39 71.44 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 121.177 0.513 . . . . 0.0 111.087 -176.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 28' ' ' LYS . 7.5 t -85.82 -21.85 27.9 Favored 'General case' 0 N--CA 1.431 -1.392 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.544 -171.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.619 ' HG2' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -88.02 -35.29 17.65 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.513 0.197 . . . . 0.0 111.328 177.107 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 30' ' ' PHE . 22.1 m -80.7 -6.9 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-O 120.975 0.417 . . . . 0.0 111.389 -178.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.94 13.05 72.85 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.77 177.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.484 ' O ' HG21 ' A' ' 107' ' ' ILE . 16.6 tp -81.67 11.36 4.83 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.367 0.603 . . . . 0.0 109.961 -178.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.13 -19.92 19.7 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.969 169.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.79 8.43 32.83 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.093 -177.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.475 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -56.21 160.96 2.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.344 -0.843 . . . . 0.0 112.55 177.736 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.0 m -97.11 159.76 30.6 Favored Pre-proline 0 C--N 1.318 -0.77 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 170.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.46 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 86.9 Cg_exo -43.66 -47.05 9.9 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.85 2.367 . . . . 0.0 113.647 -178.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.16 -29.68 70.98 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.686 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 68.7 m-20 -69.71 -42.48 73.96 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.423 HD11 ' HG2' ' A' ' 39' ' ' LYS . 14.1 mm -70.9 -23.14 23.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.856 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 41' ' ' PRO . 3.9 mmmp? -65.59 -45.99 81.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.073 0.464 . . . . 0.0 110.356 174.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.686 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -70.23 -21.13 63.03 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.515 176.853 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 43' ' ' ASP . 70.7 t -69.61 -34.75 62.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.124 173.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.571 ' HA ' HD11 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -52.82 -43.65 66.12 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 170.334 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -63.39 -27.04 69.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.935 178.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 47' ' ' VAL . 51.7 mt -71.36 -54.12 18.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.74 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -63.11 -37.55 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 C-N-CA 119.702 -0.799 . . . . 0.0 109.358 -178.394 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.606 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 20.0 t0 -83.84 72.57 10.39 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 120.114 -0.635 . . . . 0.0 109.47 178.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.556 ' HA ' HD22 ' A' ' 70' ' ' ASN . 5.8 tp-100 -51.44 -44.25 62.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.992 0.425 . . . . 0.0 111.038 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.604 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 1.8 p-10 -80.59 -18.61 47.72 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.575 -179.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 4.8 tppp? 58.77 67.67 0.9 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.477 0.656 . . . . 0.0 112.473 172.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.2 m -128.49 20.45 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.408 177.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.2 t70 73.28 -3.08 2.55 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.787 0.835 . . . . 0.0 111.304 177.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -120.75 134.34 55.29 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 173.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.74 HG11 ' HB ' ' A' ' 51' ' ' ILE . 6.5 t -123.64 86.38 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.424 -173.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -89.17 -175.87 4.93 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -176.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.54 -37.75 82.23 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.595 -174.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -55.41 -40.93 72.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.945 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.644 ' HB3' ' O ' ' A' ' 51' ' ' ILE . 1.4 mp0 -67.81 -40.7 83.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 177.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.453 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 4.1 mm? -65.69 -18.67 65.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.146 0.498 . . . . 0.0 111.156 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.489 ' O ' HD23 ' A' ' 68' ' ' LEU . 11.1 mptt -70.17 -49.64 48.4 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.514 175.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.522 HD22 ' NE2' ' A' ' 69' ' ' GLN . 33.2 mt -103.24 4.55 36.8 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -175.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.484 ' HD2' HG22 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -63.49 -23.62 67.47 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.511 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.727 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.0 mm? -61.41 -43.24 99.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.752 175.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.522 ' NE2' HD22 ' A' ' 66' ' ' LEU . 78.9 mt-30 -66.99 -17.55 64.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.057 178.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.556 HD22 ' HA ' ' A' ' 53' ' ' GLN . 47.6 t-20 -85.82 -38.7 17.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.88 175.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.453 ' CD2' HG21 ' A' ' 50' ' ' ILE . 1.9 t80 -62.09 -49.38 76.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.249 -174.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.2 p -132.34 -167.92 1.97 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.889 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.9 -43.87 34.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.069 0.462 . . . . 0.0 110.877 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -142.4 97.17 0.2 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.925 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.416 ' HB1' HD13 ' A' ' 16' ' ' LEU . . . -122.33 160.04 26.19 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.069 0.461 . . . . 0.0 111.115 -178.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.633 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 97.7 mtt180 -89.14 124.55 34.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.05 -176.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.479 ' HA ' HD23 ' A' ' 68' ' ' LEU . . . -63.27 129.98 42.6 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.847 178.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.401 ' HG ' HD21 ' A' ' 68' ' ' LEU . 14.1 mt -86.47 124.55 32.91 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.0 m -128.95 -176.21 3.79 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 64.56 -148.63 0.27 Allowed 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.508 0.505 . . . . 0.0 110.733 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.415 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -66.81 -17.49 64.91 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -174.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.575 ' HG3' ' CD1' ' A' ' 25' ' ' PHE . 6.5 mm-40 -61.56 -51.55 68.12 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -177.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.504 ' O ' ' HB2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -60.79 -38.34 85.01 Favored 'General case' 0 C--O 1.208 -1.079 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.979 178.611 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -62.21 -56.53 17.79 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -178.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 81' ' ' ALA . 8.4 p -69.5 -34.01 59.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.877 0.37 . . . . 0.0 111.213 -176.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -76.29 -31.64 58.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.896 0.379 . . . . 0.0 110.496 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.762 HD12 HG12 ' A' ' 98' ' ' ILE . 19.5 tp -69.57 -44.59 70.54 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 175.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.563 ' HA ' ' HB3' ' A' ' 91' ' ' ASP . 25.1 mmtm -69.78 -17.82 63.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.721 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.76 -27.2 66.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.032 0.444 . . . . 0.0 110.121 173.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -111.57 2.35 27.73 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.563 ' HB3' ' HA ' ' A' ' 88' ' ' LYS . 26.2 t0 -104.17 79.09 1.57 Allowed 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 171.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.1 m -91.63 -25.85 18.96 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.118 0.485 . . . . 0.0 110.373 -172.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.623 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 11.2 p-10 -89.59 -3.14 58.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.325 176.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 70.34 44.7 58.36 Favored Glycine 0 C--N 1.331 0.256 0 CA-C-N 115.439 -0.801 . . . . 0.0 113.375 172.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -109.98 12.34 23.74 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.985 0.392 . . . . 0.0 111.244 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.79 29.18 39.66 Favored Glycine 0 C--N 1.334 0.421 0 N-CA-C 114.549 0.579 . . . . 0.0 114.549 166.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.557 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 8.7 ptpp? -160.07 178.55 9.57 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 117.225 0.512 . . . . 0.0 110.428 -176.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.762 HG12 HD12 ' A' ' 87' ' ' LEU . 23.5 mm -92.52 114.74 29.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.286 172.119 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -72.82 138.15 25.37 Favored Glycine 0 N--CA 1.437 -1.288 0 N-CA-C 108.859 -1.696 . . . . 0.0 108.859 167.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.9 m -58.45 -49.01 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.976 0 CA-C-N 117.471 0.636 . . . . 0.0 111.918 -174.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -80.07 -25.23 40.15 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.461 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -64.07 -33.69 76.34 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.852 173.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.5 ' CE2' HD11 ' A' ' 107' ' ' ILE . 52.0 t80 -67.82 -49.82 60.14 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.996 178.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -54.75 -39.83 69.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.387 -0.911 . . . . 0.0 111.489 175.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.01 -26.85 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.477 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 4.7 ptp -78.0 -28.39 49.23 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.305 0.574 . . . . 0.0 109.836 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.5 HD11 ' CE2' ' A' ' 103' ' ' PHE . 72.2 mt -77.65 -39.6 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.34 -178.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -80.37 -29.41 37.87 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 114.661 -1.154 . . . . 0.0 110.267 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.207 0 CA-C-O 118.578 -0.725 . . . . 0.0 111.886 177.898 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . 0.622 'CA ' ' OE2' ' A' ' 63' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . 0.623 'CA ' ' OD1' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.4 tpp . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 120.671 0.272 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.12 8.42 10.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.872 0.368 . . . . 0.0 111.493 -178.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -123.32 160.98 25.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.916 0.389 . . . . 0.0 110.774 -179.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.02 38.72 0.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.537 -173.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 75.0 -13.24 5.68 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.096 -0.574 . . . . 0.0 113.303 177.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.531 HG23 ' OD2' ' A' ' 43' ' ' ASP . 5.5 mm -53.49 -45.15 58.03 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.106 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 175.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.471 ' HB2' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -138.08 152.87 49.2 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 170.197 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -99.33 131.76 45.12 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.827 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -56.15 -28.7 59.03 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.456 174.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.87 -47.03 41.09 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.902 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.516 ' OD2' ' HA ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -72.51 -43.77 63.13 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.151 0.501 . . . . 0.0 110.635 -172.875 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.471 HD13 ' HB2' ' A' ' 7' ' ' LEU . 1.3 mp -60.73 -45.43 97.71 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.841 174.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.8 m -63.39 -30.59 71.7 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.286 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.65 -52.91 63.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.97 0.414 . . . . 0.0 110.315 177.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.6 -36.85 84.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.452 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.457 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 83.9 mt -74.91 -28.64 60.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.763 0.316 . . . . 0.0 111.44 -178.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.72 -18.59 60.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.167 0.508 . . . . 0.0 110.073 175.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.22 -37.0 66.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.914 175.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.457 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 26.5 p -88.96 18.85 4.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.139 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -71.4 -17.56 62.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.644 0.735 . . . . 0.0 109.196 173.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.59 145.52 30.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.281 172.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -72.32 137.77 46.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.685 0.279 . . . . 0.0 110.365 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.5 16.34 76.05 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.917 -0.658 . . . . 0.0 111.503 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.5 m -119.04 7.59 11.42 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -173.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -85.88 95.85 9.59 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 119.919 -0.713 . . . . 0.0 109.9 172.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.61 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 20.3 m-20 -86.37 98.14 10.82 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 171.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 -45.89 -34.42 3.85 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.583 0.706 . . . . 0.0 111.286 176.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.582 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . 62.5 tttm -73.51 -49.95 24.0 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.262 -178.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.61 ' HB3' ' HB2' ' A' ' 26' ' ' ASP . . . -57.64 -35.09 70.04 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.181 177.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.414 ' O ' HG22 ' A' ' 34' ' ' VAL . 77.9 t80 -59.6 -58.9 6.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.806 178.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.582 ' CE2' ' HA ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -62.56 -34.38 76.83 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.474 0.654 . . . . 0.0 111.131 -174.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.522 HG22 ' HA ' ' A' ' 29' ' ' ALA . 2.4 t -86.54 -19.42 29.49 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.233 -172.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 36.8 ttmt -86.63 -49.12 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.689 178.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.516 ' HA ' ' OD2' ' A' ' 11' ' ' ASP . 16.2 m -74.19 -23.51 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-O 120.87 0.367 . . . . 0.0 111.344 -177.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.415 ' O ' ' HG2' ' A' ' 39' ' ' LYS . . . 105.08 14.72 21.95 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.676 -0.773 . . . . 0.0 113.43 175.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.615 ' HA ' ' CG ' ' A' ' 39' ' ' LYS . 14.2 mt -66.43 -25.88 66.96 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -178.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.536 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . . . -64.0 -23.73 67.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.921 0.391 . . . . 0.0 110.603 177.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -107.67 -5.45 17.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.01 177.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.615 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 46.0 mmtt -63.9 145.55 55.63 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.489 0.661 . . . . 0.0 112.125 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.2 t -74.71 148.6 85.32 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.732 177.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.427 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 53.2 Cg_exo -53.61 -21.63 19.82 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.125 2.55 . . . . 0.0 112.832 176.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.04 -40.78 62.62 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.151 0.501 . . . . 0.0 110.727 177.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.778 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 6.9 t70 -70.96 -45.71 63.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.488 177.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.0 mt -60.55 -22.21 25.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.136 0.493 . . . . 0.0 110.525 174.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.505 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 40.9 tptt -74.42 -37.73 63.26 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 120.779 0.323 . . . . 0.0 110.647 177.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.778 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -73.28 -25.39 60.65 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.191 174.302 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 43' ' ' ASP . 61.5 t -67.78 -32.3 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.889 172.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.505 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -53.7 -47.98 69.99 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 170.183 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.75 -23.84 63.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.514 177.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.557 HG22 ' HD2' ' A' ' 67' ' ' PHE . 35.1 mt -76.18 -56.24 8.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 118.906 -0.569 . . . . 0.0 112.352 178.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.807 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -61.4 -34.64 62.07 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.655 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 9.7 t0 -83.14 74.38 10.0 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 174.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -53.07 -43.93 67.09 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.563 0.697 . . . . 0.0 110.411 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -84.41 -9.2 58.62 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.532 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.605 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 21.9 pttp 37.02 63.69 0.67 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.153 0.981 . . . . 0.0 113.61 177.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.7 p -125.54 33.01 5.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.269 176.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 78.46 -2.26 2.39 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 115.029 -0.987 . . . . 0.0 112.018 175.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -130.33 132.65 45.95 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.807 HG11 ' HB ' ' A' ' 51' ' ' ILE . 99.8 t -115.52 89.94 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.104 -174.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -93.13 169.21 10.58 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -174.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.55 -45.92 80.96 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -176.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -57.34 -24.79 57.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.971 -177.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -77.25 -45.38 26.6 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.696 175.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.563 ' HA ' ' HB3' ' A' ' 67' ' ' PHE . 1.0 OUTLIER -62.37 -16.02 52.16 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.578 -179.503 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -61.39 -56.11 23.93 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 120.501 -0.479 . . . . 0.0 111.004 172.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -102.35 4.54 39.11 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.563 ' HB3' ' HA ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -60.08 -24.15 64.37 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.112 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.648 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.3 mm? -63.6 -43.0 98.19 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.512 175.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -72.95 -11.31 60.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.713 0.768 . . . . 0.0 109.635 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.552 ' ND2' ' HA ' ' A' ' 50' ' ' ILE . 63.4 t30 -91.0 -17.8 25.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.432 173.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.472 ' CD2' HG21 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -86.54 -43.98 12.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.469 178.534 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.5 p -153.59 174.89 13.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.935 -178.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.51 -44.56 11.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.889 0.376 . . . . 0.0 111.258 -178.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -93.14 54.56 2.51 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.135 -177.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.597 ' HB1' ' HB3' ' A' ' 68' ' ' LEU . . . -106.38 166.36 10.59 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.954 0.407 . . . . 0.0 111.615 -175.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.542 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 29.7 mmm180 -114.94 140.07 49.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.161 -178.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.33 121.55 23.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.822 0.344 . . . . 0.0 110.638 179.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.8 mp -68.95 113.85 6.72 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.024 176.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.5 t -118.68 143.53 46.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.793 0.33 . . . . 0.0 110.698 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 65.82 -112.05 0.22 Allowed 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.825 173.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.25 -33.58 73.47 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.554 -171.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.89 -47.74 82.0 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.484 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -62.44 -55.56 26.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.463 179.011 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -55.93 -55.48 32.13 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -175.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.6 t -70.18 -36.45 67.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.539 -173.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -70.09 -34.97 73.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.282 176.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.511 ' HA ' HD11 ' A' ' 98' ' ' ILE . 81.7 mt -64.21 -52.04 60.77 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 173.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -63.3 -16.39 60.18 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -176.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.18 -28.68 66.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.092 0.473 . . . . 0.0 110.485 172.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -119.89 -41.09 0.57 Allowed Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.926 177.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -58.99 102.53 0.12 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.376 0.607 . . . . 0.0 110.553 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.6 m -98.3 -5.88 32.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.899 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.658 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 1.9 m-20 -92.34 -25.72 18.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.308 -176.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.12 24.95 56.56 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.26 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.613 ' OD2' ' HG2' ' A' ' 97' ' ' LYS . 17.4 p-10 -104.94 -4.03 22.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.722 0.296 . . . . 0.0 111.307 -174.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.47 28.32 48.38 Favored Glycine 0 CA--C 1.517 0.195 0 C-N-CA 120.705 -0.759 . . . . 0.0 113.767 172.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.649 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 5.4 ptpp? -130.01 169.67 14.96 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.142 0.496 . . . . 0.0 109.905 176.115 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.611 ' O ' ' HB ' ' A' ' 59' ' ' VAL . 24.8 mm -116.1 104.94 17.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.005 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.702 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -68.12 138.27 32.6 Favored Glycine 0 N--CA 1.432 -1.576 0 N-CA-C 108.148 -1.981 . . . . 0.0 108.148 163.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.44 HG21 ' CD1' ' A' ' 48' ' ' PHE . 82.3 t -60.16 -37.62 73.97 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 CA-C-N 117.602 0.701 . . . . 0.0 110.938 -176.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.52 -38.87 88.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.178 173.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.91 -36.42 84.32 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.169 175.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.522 ' O ' ' HG2' ' A' ' 106' ' ' MET . 35.2 t80 -69.43 -46.98 65.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.46 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.4 -34.78 76.38 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.786 177.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.4 -36.74 79.55 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.522 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 10.8 ptp -72.77 -24.9 61.01 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.047 0.451 . . . . 0.0 110.35 -178.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.469 HD11 ' CE2' ' A' ' 103' ' ' PHE . 81.1 mt -80.59 -32.99 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 122.131 0.967 . . . . 0.0 109.763 177.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -95.74 7.78 45.35 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.492 -1.231 . . . . 0.0 110.288 -176.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.245 177.505 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . 0.655 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . 0.658 'CA ' ' OD2' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.728 0.299 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.06 68.19 7.26 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 175.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 66.82 -74.2 0.07 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.736 -176.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -150.93 5.25 0.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.808 177.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 83.14 -6.77 69.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.661 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.4 mt -62.44 -28.73 45.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 121.747 0.784 . . . . 0.0 109.289 174.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -137.4 149.19 46.75 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.858 176.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.41 ' N ' HD22 ' A' ' 8' ' ' ASN . 0.9 OUTLIER -101.06 114.69 28.86 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 170.36 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -53.77 -34.67 59.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.122 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.49 -36.6 84.73 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.561 177.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.425 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 32.1 m-20 -68.92 -47.73 65.03 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 120.964 0.411 . . . . 0.0 110.99 -178.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.504 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.9 mp -59.3 -53.34 49.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.858 177.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.0 m -54.66 -35.34 63.41 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.501 177.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.68 94.3 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.28 99.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.061 176.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 12' ' ' ILE . 4.6 mm? -62.16 -35.39 78.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.799 176.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.08 -33.11 75.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.897 0.379 . . . . 0.0 111.092 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.83 -10.73 54.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.066 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.538 ' HB3' ' CD1' ' A' ' 25' ' ' PHE . 87.1 m -129.91 29.87 4.91 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.541 -174.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -90.32 2.55 55.4 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.99 0.424 . . . . 0.0 111.307 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.4 133.1 37.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.105 175.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -61.9 126.5 27.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.251 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.401 ' H ' ' CD ' ' A' ' 82' ' ' GLU . . . 80.58 15.01 79.03 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.049 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.9 m -130.29 17.04 5.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.706 0.289 . . . . 0.0 111.322 -178.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.538 ' CD1' ' HB3' ' A' ' 19' ' ' CYS . 25.4 t80 -76.37 124.68 27.9 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 176.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -109.05 94.8 5.24 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.372 -0.531 . . . . 0.0 109.641 172.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.4 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 5.8 p-80 -55.29 -26.05 37.89 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.876 -178.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.551 ' HG3' ' CE2' ' A' ' 31' ' ' PHE . 29.9 ttpp -72.88 -50.94 20.75 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.407 ' HA ' HG22 ' A' ' 32' ' ' THR . . . -52.3 -38.99 59.95 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.93 174.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.4 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 91.7 t80 -54.33 -56.04 22.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.434 178.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.551 ' CE2' ' HG3' ' A' ' 28' ' ' LYS . 1.9 p90 -66.59 -37.54 85.13 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.294 0.568 . . . . 0.0 111.449 -175.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.504 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 8.6 t -86.34 -20.75 27.85 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.941 -169.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -83.68 -37.44 22.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.974 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.458 ' CG2' ' HB2' ' A' ' 36' ' ' LEU . 10.6 m -85.66 -11.6 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.396 -178.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.464 ' O ' ' HE2' ' A' ' 39' ' ' LYS . . . 83.89 28.61 34.16 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.213 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.458 ' HB2' ' CG2' ' A' ' 34' ' ' VAL . 12.6 tp -81.24 -17.02 50.97 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.649 -0.324 . . . . 0.0 110.918 -174.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.526 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . . . -79.9 -7.81 58.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.727 0.299 . . . . 0.0 111.473 -176.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -111.22 30.38 6.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.035 0.445 . . . . 0.0 110.625 177.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.464 ' HE2' ' O ' ' A' ' 35' ' ' GLY . 71.3 mmtt -95.72 134.19 38.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.829 -179.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.9 m -73.51 160.15 83.0 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.902 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_exo -43.7 -46.03 10.58 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.864 2.376 . . . . 0.0 113.202 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.87 -44.93 96.39 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.833 0.349 . . . . 0.0 111.614 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.704 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 5.2 m-20 -64.64 -44.58 90.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.376 0.608 . . . . 0.0 109.439 178.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.4 mm -64.64 -29.52 47.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.235 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 21.6 tptm -65.0 -42.12 94.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.083 0.468 . . . . 0.0 110.508 178.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.704 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -71.79 -25.63 62.09 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.782 -0.767 . . . . 0.0 109.27 177.021 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.761 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 96.2 t -68.44 -31.38 51.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.839 173.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.672 ' HA ' HD11 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -54.16 -45.33 72.01 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 169.543 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.31 -24.89 65.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.719 177.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.761 ' HB ' ' O ' ' A' ' 47' ' ' VAL . 0.3 OUTLIER -63.92 -54.6 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.686 174.459 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.792 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -70.56 -28.7 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.694 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.644 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 30.1 t0 -81.44 65.99 6.8 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 174.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.06 -31.59 71.35 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.459 0.647 . . . . 0.0 110.509 -172.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.4 ' HB3' ' OE2' ' A' ' 63' ' ' GLU . 6.5 t70 -85.49 -11.28 54.63 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.214 177.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt 57.16 64.93 1.49 Allowed 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 167.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.0 m -138.75 25.96 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.026 -178.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 72.79 -2.66 2.61 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.284 0.633 . . . . 0.0 112.102 176.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -131.67 135.85 47.23 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 175.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.792 HG11 ' HB ' ' A' ' 51' ' ' ILE . 87.4 t -111.19 92.67 2.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.387 -171.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.498 ' O ' ' HB3' ' A' ' 63' ' ' GLU . 42.6 mt-10 -93.0 164.92 13.1 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -172.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -57.96 -53.75 54.71 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.58 -19.34 62.07 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.133 0.492 . . . . 0.0 110.511 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.62 ' OE1' ' HA ' ' A' ' 59' ' ' VAL . 32.8 tt0 -81.51 -43.14 19.21 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.507 176.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.564 ' O ' ' HD2' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -59.88 -20.0 54.6 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.277 175.647 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -53.56 -45.62 69.94 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.279 178.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.556 HD12 HE21 ' A' ' 69' ' ' GLN . 1.3 mm? -102.59 4.37 38.31 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.564 ' HD2' ' O ' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -61.7 -24.56 66.85 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.678 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.676 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.1 mm? -61.95 -51.11 69.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.051 177.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.556 HE21 HD12 ' A' ' 66' ' ' LEU . 35.5 mt-30 -68.11 -14.96 63.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.009 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -83.03 -38.79 22.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.402 176.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.57 -46.65 72.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.861 178.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.1 m -154.9 145.24 22.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.766 178.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.36 -13.91 62.35 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -174.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -111.42 29.35 8.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.342 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.43 139.63 35.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.848 0.356 . . . . 0.0 110.809 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.574 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 25.9 mmm180 -84.59 136.86 33.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.832 -176.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.435 ' HA ' HD23 ' A' ' 68' ' ' LEU . . . -67.64 118.65 11.2 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.99 0.424 . . . . 0.0 111.023 178.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.423 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 73.3 mt -69.54 130.42 42.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.496 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.446 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 14.4 m -129.38 155.83 45.03 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.984 -178.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 53.68 -112.0 0.66 Allowed 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 176.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.572 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -71.52 -34.14 69.82 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.749 -168.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 79' ' ' SER . 1.1 mm-40 -59.16 -53.26 60.34 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 -177.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.631 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 2.2 m -60.13 -44.13 95.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.106 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -55.91 -61.74 2.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.868 -177.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.572 HG12 ' O ' ' A' ' 81' ' ' ALA . 7.1 p -69.84 -29.82 42.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.917 0.389 . . . . 0.0 110.902 -175.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -64.67 -43.41 93.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.915 176.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.659 ' HA ' HD11 ' A' ' 98' ' ' ILE . 98.1 mt -65.19 -40.02 93.67 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.197 176.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -63.26 -25.43 68.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.112 -176.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.98 -28.46 69.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.102 0.477 . . . . 0.0 110.508 176.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.403 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -111.27 -66.83 0.53 Allowed Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.441 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.609 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 30.8 t70 -63.19 110.66 1.93 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.272 0.558 . . . . 0.0 110.632 -177.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.5 m -98.3 -4.45 35.05 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.21 -175.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.632 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 0.3 OUTLIER -91.77 -25.77 18.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.96 -173.79 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.43 40.68 12.65 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 -169.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.497 ' HB2' ' HB2' ' A' ' 93' ' ' ASP . 11.5 t0 -98.12 -0.59 44.1 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.43 -0.885 . . . . 0.0 111.248 -168.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.64 29.65 69.41 Favored Glycine 0 C--N 1.336 0.555 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.763 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.655 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 4.4 ptpp? -157.56 178.67 10.02 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 121.022 0.439 . . . . 0.0 110.329 -172.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.659 HD11 ' HA ' ' A' ' 87' ' ' LEU . 14.3 mm -114.57 109.29 27.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.301 169.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.76 137.13 46.54 Favored Glycine 0 N--CA 1.433 -1.538 0 N-CA-C 108.803 -1.719 . . . . 0.0 108.803 167.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.0 m -58.41 -39.91 76.37 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-O 121.287 0.565 . . . . 0.0 112.153 -174.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -80.96 -20.27 42.32 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.659 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.515 ' CD ' ' HA ' ' A' ' 91' ' ' ASP . 35.8 mt-10 -71.39 -33.57 69.61 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.789 173.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.574 ' CE2' HD11 ' A' ' 107' ' ' ILE . 26.6 t80 -69.6 -50.64 42.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.174 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.82 -34.72 65.58 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.566 176.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.88 -42.63 90.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.681 -0.259 . . . . 0.0 111.445 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 9.7 ptp -67.58 -27.35 66.85 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.082 0.468 . . . . 0.0 110.763 -178.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.574 HD11 ' CE2' ' A' ' 103' ' ' PHE . 99.3 mt -79.16 -34.15 16.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.784 0.802 . . . . 0.0 110.285 -177.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.9 tmmm? -87.28 -9.87 53.85 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.455 -176.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.659 -0.686 . . . . 0.0 110.969 179.128 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . 0.644 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . 0.632 'CA ' ' OD2' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.0 mtp . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 120.683 0.278 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.88 131.01 49.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.005 177.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -158.2 -177.5 6.6 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -176.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.44 163.68 2.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.049 0.452 . . . . 0.0 111.199 177.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -78.19 30.17 1.87 Allowed Glycine 0 N--CA 1.453 -0.181 0 CA-C-N 116.041 -0.527 . . . . 0.0 113.158 -176.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.509 HG23 ' OD2' ' A' ' 43' ' ' ASP . 35.5 mm -70.05 -29.88 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 171.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.482 ' HG ' ' CE1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -146.43 140.18 26.1 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.672 176.496 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.26 116.18 32.21 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 172.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -51.12 -37.62 47.12 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.898 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.35 -49.68 74.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.523 179.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -64.25 -48.53 75.41 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.22 0.534 . . . . 0.0 111.104 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.63 -48.54 85.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.395 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.4 m -60.56 -37.47 81.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.331 178.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.18 -55.48 34.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.76 -177.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.477 ' HB2' ' CD ' ' A' ' 33' ' ' LYS . . . -64.94 -36.34 84.09 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.49 -41.49 93.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 111.135 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.83 -21.54 57.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.024 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.63 -29.31 66.77 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.508 0.671 . . . . 0.0 109.898 177.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.559 ' HB3' ' HA ' ' A' ' 25' ' ' PHE . 20.2 m -104.72 50.95 0.78 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.731 -176.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -77.04 54.91 1.08 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 121.119 0.485 . . . . 0.0 111.129 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.414 ' HB3' ' HB2' ' A' ' 24' ' ' SER . . . -153.12 136.18 15.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.388 -178.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -63.0 135.33 57.23 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.26 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.81 0.18 24.51 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.807 -0.633 . . . . 0.0 113.379 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.414 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 38.9 m -119.49 46.53 1.89 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.062 0.458 . . . . 0.0 111.102 -175.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.559 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 28.2 m-85 -95.98 113.69 25.33 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.343 176.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -74.61 85.67 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.496 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -60.0 -29.53 68.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.626 0.727 . . . . 0.0 110.016 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.559 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . 42.7 tttp -74.47 -52.67 11.34 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.918 -177.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.488 ' O ' ' HB3' ' A' ' 33' ' ' LYS . . . -55.11 -34.8 63.99 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.637 177.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -62.28 -57.11 12.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.075 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.559 ' CE2' ' HA ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -60.56 -36.08 77.6 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.58 0.705 . . . . 0.0 110.875 -175.83 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.44 ' HB ' ' CE1' ' A' ' 31' ' ' PHE . 5.4 t -86.31 -21.25 27.4 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.561 -170.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.532 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -87.03 -31.22 20.66 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 121.277 -0.169 . . . . 0.0 111.112 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.532 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 15.7 m -91.51 -8.29 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -176.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.28 27.82 32.23 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.087 -178.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.431 ' HB2' ' CG2' ' A' ' 34' ' ' VAL . 14.9 tp -83.28 -16.92 44.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.927 0.394 . . . . 0.0 110.933 -175.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.469 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . . . -81.97 -5.23 58.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.076 0.465 . . . . 0.0 111.096 -178.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.76 38.01 3.44 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.165 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.468 ' HD2' ' CG ' ' A' ' 43' ' ' ASP . 62.3 mmtt -97.18 141.6 30.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.583 0.706 . . . . 0.0 112.357 -175.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 m -81.74 157.2 69.78 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.699 175.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_exo -44.99 -46.84 12.68 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.136 2.557 . . . . 0.0 113.862 -177.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.21 -29.75 70.84 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.875 0.369 . . . . 0.0 111.767 -177.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.683 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 11.1 t0 -75.9 -47.67 24.42 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.8 mm -62.73 -22.88 31.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.261 175.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.611 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 22.0 tptm -68.71 -42.33 77.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.986 0.422 . . . . 0.0 110.632 175.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.697 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -71.34 -26.49 62.85 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.397 -0.921 . . . . 0.0 109.147 175.275 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.733 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 86.8 t -65.54 -34.2 68.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.99 172.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.611 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -50.53 -47.4 57.59 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 169.091 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -62.07 -23.07 66.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.261 178.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.733 ' HB ' ' O ' ' A' ' 47' ' ' VAL . 0.3 OUTLIER -65.26 -59.3 4.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 176.764 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.869 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -71.53 -31.45 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 -178.205 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.648 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 10.9 t0 -82.06 74.86 9.02 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 177.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.645 ' OE1' ' HB2' ' A' ' 70' ' ' ASN . 50.2 tp60 -50.0 -47.03 53.18 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.924 0.869 . . . . 0.0 110.75 178.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.491 ' HB3' ' OE2' ' A' ' 63' ' ' GLU . 17.7 t70 -84.9 -8.71 58.66 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.965 -179.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.608 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 12.5 ptmm? 41.17 65.7 0.78 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 173.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.7 m -124.12 30.18 6.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.403 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 69.41 8.91 7.04 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.216 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -143.91 127.08 16.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.433 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.869 HG11 ' HB ' ' A' ' 51' ' ' ILE . 57.6 t -112.22 100.73 11.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.611 -172.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -93.48 174.11 7.36 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.61 0.226 . . . . 0.0 111.61 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -64.06 -36.83 85.28 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.612 0.244 . . . . 0.0 111.135 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -50.95 -30.21 14.28 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.429 0.633 . . . . 0.0 110.397 176.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.554 ' O ' ' HB3' ' A' ' 67' ' ' PHE . 44.0 mt-10 -86.2 -40.52 15.52 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.017 -177.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.723 ' HG ' HD21 ' A' ' 87' ' ' LEU . 4.5 mm? -58.33 -18.19 25.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.883 0.373 . . . . 0.0 111.074 176.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.474 ' O ' HD23 ' A' ' 68' ' ' LEU . 23.0 mmtp -67.15 -58.78 4.23 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.833 177.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -102.29 4.66 39.39 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -176.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.554 ' HB3' ' O ' ' A' ' 63' ' ' GLU . 0.8 OUTLIER -57.68 -24.95 59.37 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.261 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 2.8 mm? -59.57 -55.88 28.98 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.31 176.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -60.97 -21.47 63.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.103 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.645 ' HB2' ' OE1' ' A' ' 53' ' ' GLN . 35.9 t30 -74.76 -38.97 62.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.18 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.58 ' CD1' HG13 ' A' ' 50' ' ' ILE . 5.1 t80 -84.72 -42.02 15.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.279 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.9 m -152.57 135.65 15.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.17 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.44 -22.31 62.72 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -172.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -100.57 26.3 25.09 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.3 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.509 ' CB ' ' HB3' ' A' ' 68' ' ' LEU . . . -91.88 154.5 18.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.897 0.379 . . . . 0.0 110.928 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.695 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 29.2 mmm180 -95.38 127.14 41.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.725 -175.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.55 131.2 47.32 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.026 0.441 . . . . 0.0 110.508 178.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.465 ' HG ' HD21 ' A' ' 68' ' ' LEU . 59.3 mt -82.15 117.95 22.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.851 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.7 p -123.75 130.49 52.72 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -175.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.23 -92.88 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.649 175.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.04 -45.29 27.68 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -169.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.8 pm0 -69.34 -31.31 69.67 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.946 -178.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -42.73 85.57 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 173.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -60.4 -54.1 49.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.106 -177.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 48.8 t -66.95 -43.74 89.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.866 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -61.02 -41.38 96.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.011 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.723 HD21 ' HG ' ' A' ' 64' ' ' LEU . 65.2 mt -62.46 -54.06 45.69 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 176.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -63.46 -17.42 62.7 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -176.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.27 -34.56 72.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.001 0.429 . . . . 0.0 110.109 175.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.412 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -114.74 -48.84 0.53 Allowed Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.808 179.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.635 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 27.2 t70 -60.95 102.11 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 178.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.8 p -96.51 -21.56 17.63 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.89 0.376 . . . . 0.0 110.637 -174.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -84.06 -6.59 59.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.361 0.601 . . . . 0.0 110.774 -179.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 67.34 48.55 57.58 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.263 -0.881 . . . . 0.0 113.54 171.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.637 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 2.5 p-10 -109.16 -9.07 15.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.817 0.341 . . . . 0.0 110.472 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.97 28.81 17.04 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.215 176.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.597 ' HB3' ' OD2' ' A' ' 95' ' ' ASP . 0.0 OUTLIER -138.68 146.94 42.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.154 0.502 . . . . 0.0 110.235 -175.484 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.539 ' O ' ' HB ' ' A' ' 59' ' ' VAL . 26.2 mm -93.02 98.48 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.279 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.83 175.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -63.66 139.84 43.76 Favored Glycine 0 N--CA 1.435 -1.41 0 N-CA-C 108.118 -1.993 . . . . 0.0 108.118 165.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.487 HG21 ' CD1' ' A' ' 48' ' ' PHE . 92.4 t -63.23 -40.17 88.03 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.286 0 CA-C-N 117.719 0.759 . . . . 0.0 110.84 -175.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -68.31 -33.25 73.98 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.155 173.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 99' ' ' GLY . 11.3 mm-40 -61.13 -44.03 97.96 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.354 0.597 . . . . 0.0 109.658 173.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.486 ' CE2' HD11 ' A' ' 107' ' ' ILE . 26.0 t80 -64.78 -44.52 89.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.354 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.38 -31.86 63.36 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.187 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.39 -41.63 80.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.878 -0.161 . . . . 0.0 110.996 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.6 ptp -71.64 -19.3 62.12 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.939 0.4 . . . . 0.0 110.578 -178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.486 HD11 ' CE2' ' A' ' 103' ' ' PHE . 83.7 mt -82.32 -33.51 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.724 0.773 . . . . 0.0 109.926 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.9 tmmm? -90.37 -21.69 21.85 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.646 -176.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.73 -0.652 . . . . 0.0 110.718 179.539 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . 0.648 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . 0.637 'CA ' ' OD1' ' A' ' 95' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.5 mmm . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.68 0.276 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.31 124.63 3.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.848 0.356 . . . . 0.0 110.403 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.96 -42.2 60.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.993 178.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 49.37 -131.24 1.85 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.687 175.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.63 5.76 51.67 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.468 173.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.476 HG23 ' OD2' ' A' ' 43' ' ' ASP . 34.9 mm -62.03 -32.29 53.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-O 121.51 0.671 . . . . 0.0 109.234 175.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.474 ' O ' HD12 ' A' ' 7' ' ' LEU . 3.7 pp -145.48 150.57 36.71 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.875 169.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -100.27 107.82 19.73 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 172.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -47.32 -37.84 11.66 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.936 -176.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.85 -49.25 73.51 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.363 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.12 -38.61 72.3 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 120.902 0.382 . . . . 0.0 111.443 -177.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.44 ' CD1' ' HB2' ' A' ' 7' ' ' LEU . 1.7 mp -62.48 -46.15 97.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.868 176.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 54.3 m -64.4 -37.54 87.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.185 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.73 -46.67 88.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.724 0.297 . . . . 0.0 111.095 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.65 -40.34 80.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.046 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.1 mt -65.86 -41.09 92.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.217 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.67 -24.98 58.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.936 0.398 . . . . 0.0 111.122 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.34 -15.47 61.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.079 0.466 . . . . 0.0 110.309 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 55.4 m -115.91 18.86 15.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.27 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.449 ' HA ' ' CZ ' ' A' ' 76' ' ' ARG . 40.6 ttmt -64.02 -34.36 77.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.118 -174.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.97 132.72 34.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.543 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.58 114.65 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.327 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.49 -15.5 29.69 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.464 -175.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.6 t -96.98 19.75 12.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.203 0.525 . . . . 0.0 110.065 178.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -81.0 129.69 34.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.479 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.465 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 21.6 m-20 -123.91 90.53 3.29 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.542 175.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.429 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 36.4 t60 -46.53 -54.9 8.43 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.317 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.563 ' O ' HG22 ' A' ' 32' ' ' THR . 87.7 tttt -72.17 -46.32 56.84 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.438 -173.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . . . -58.13 -33.74 69.48 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.488 177.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.634 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 90.1 t80 -55.7 -60.37 3.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.616 176.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.444 ' CE1' HG12 ' A' ' 107' ' ' ILE . 81.3 m-85 -67.23 -36.65 82.11 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -174.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 28' ' ' LYS . 10.2 t -76.34 -32.02 58.44 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.615 -178.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -80.86 -35.17 33.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.204 0.526 . . . . 0.0 110.174 178.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.634 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -74.92 -23.04 17.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.742 -178.288 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.92 26.72 30.86 Favored Glycine 0 C--N 1.333 0.37 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.439 177.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.529 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 11.7 tp -92.57 -12.71 31.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.854 0.359 . . . . 0.0 111.249 -175.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.04 -24.68 59.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.879 0.371 . . . . 0.0 111.667 -175.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.05 32.28 4.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.072 0.463 . . . . 0.0 111.164 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.523 ' HG3' HD12 ' A' ' 36' ' ' LEU . 69.8 mmtt -88.54 140.21 29.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.198 0.523 . . . . 0.0 111.96 -178.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.1 m -80.69 158.57 70.72 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.105 177.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -43.51 -45.27 10.56 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.356 2.704 . . . . 0.0 114.052 -177.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.14 84.64 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.553 ' O ' HG23 ' A' ' 47' ' ' VAL . 12.1 t0 -72.53 -47.35 49.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -178.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' A' ' 44' ' ' ILE . 10.5 mm -62.95 -22.69 31.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.056 0.455 . . . . 0.0 110.868 178.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.403 ' HD2' ' HA ' ' A' ' 45' ' ' LYS . 21.3 tptm -69.06 -48.19 63.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.885 0.374 . . . . 0.0 110.405 176.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.701 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -67.09 -25.48 66.24 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.425 -0.91 . . . . 0.0 109.165 175.62 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.666 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 71.2 t -65.6 -35.04 74.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.449 173.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.527 ' HB2' ' CG1' ' A' ' 100' ' ' VAL . 0.0 OUTLIER -52.57 -42.19 64.25 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.241 0.544 . . . . 0.0 109.54 170.412 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -72.67 -16.73 61.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.228 178.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.701 HD13 ' O ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -66.74 -50.69 63.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.832 -0.167 . . . . 0.0 111.336 175.305 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.807 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -73.15 -27.91 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.671 179.14 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.623 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 20.7 t0 -87.55 66.89 9.17 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 174.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -58.89 -33.15 70.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.095 0.474 . . . . 0.0 111.285 -175.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -78.46 -19.67 52.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.083 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt 56.83 63.29 1.98 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.417 0.627 . . . . 0.0 110.526 -173.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 55.7 p -124.78 5.2 8.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.361 -173.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 56' ' ' SER . 24.6 m-20 76.06 -0.73 3.08 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.315 0.646 . . . . 0.0 111.259 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -129.76 130.43 45.38 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 172.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.821 ' HA ' ' OE1' ' A' ' 63' ' ' GLU . 79.7 t -111.74 91.82 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.373 -173.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' A' ' 63' ' ' GLU . 46.4 mt-10 -93.6 166.14 12.39 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -177.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -62.55 -40.58 97.28 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 111.3 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.04 -22.01 60.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.28 0.562 . . . . 0.0 110.695 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.821 ' OE1' ' HA ' ' A' ' 59' ' ' VAL . 38.1 tt0 -88.48 -39.35 14.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.192 177.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.561 ' O ' ' HD2' ' A' ' 67' ' ' PHE . 0.5 OUTLIER -61.09 -18.95 60.68 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-O 121.152 0.501 . . . . 0.0 110.85 175.148 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.44 ' HE3' ' OG ' ' A' ' 79' ' ' SER . 12.7 mptt -56.58 -48.36 77.55 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.97 174.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.426 HD22 ' HB3' ' A' ' 65' ' ' LYS . 1.8 mm? -103.0 4.93 37.9 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -177.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.575 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 0.3 OUTLIER -62.44 -24.63 67.54 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.486 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.736 HD22 ' H ' ' A' ' 68' ' ' LEU . 1.7 mm? -63.35 -46.7 85.37 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.675 177.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -66.01 -18.45 65.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.109 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -83.45 -41.39 18.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.009 178.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -72.39 -34.27 67.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.992 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.0 m -153.98 125.29 7.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.308 174.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.47 -32.08 68.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.808 -170.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -103.7 26.27 23.94 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.348 -0.929 . . . . 0.0 112.926 -178.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.46 156.77 21.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.066 0.46 . . . . 0.0 111.102 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.449 ' CZ ' ' HA ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -90.58 140.41 29.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.251 -179.023 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.03 139.24 41.36 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.055 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.464 ' HG ' HD21 ' A' ' 68' ' ' LEU . 12.8 mt -95.76 113.43 25.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.903 -179.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.44 ' OG ' ' HE3' ' A' ' 65' ' ' LYS . 50.6 m -145.56 86.82 1.76 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.265 0.555 . . . . 0.0 111.244 177.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -178.47 -154.24 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.82 -16.27 62.88 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 120.964 0.412 . . . . 0.0 110.42 177.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -73.63 -41.9 62.16 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.147 -173.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.84 -46.29 85.7 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.897 176.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -58.76 -56.78 17.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.689 -175.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 77.8 t -63.61 -46.13 95.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.015 0.436 . . . . 0.0 111.319 -177.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -64.88 -35.01 79.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.949 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.8 tp -70.05 -45.57 66.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.092 176.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.574 ' NZ ' ' HA2' ' A' ' 94' ' ' GLY . 73.4 mmtt -64.8 -17.11 63.92 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.916 -178.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.71 -26.35 63.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.22 0.533 . . . . 0.0 110.081 173.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -113.11 -51.1 0.52 Allowed Glycine 0 N--CA 1.443 -0.835 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.387 175.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -60.28 93.35 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.126 0.489 . . . . 0.0 110.468 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.7 m -99.94 -7.08 25.63 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.258 0.551 . . . . 0.0 110.296 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.65 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 1.4 m-20 -86.85 -24.21 25.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.973 -176.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.574 ' HA2' ' NZ ' ' A' ' 88' ' ' LYS . . . 79.92 20.27 68.33 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.951 -178.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -100.43 -6.49 25.54 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -175.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 91.78 30.93 9.79 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 120.138 -1.029 . . . . 0.0 113.254 170.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 20.2 ptmt -147.08 169.33 19.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.552 0.691 . . . . 0.0 111.08 -174.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.538 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 31.7 mm -118.97 107.34 21.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.282 178.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -65.51 141.11 41.98 Favored Glycine 0 N--CA 1.434 -1.436 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 164.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.527 ' CG1' ' HB2' ' A' ' 48' ' ' PHE . 83.4 t -59.49 -40.2 81.23 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 CA-C-N 117.591 0.696 . . . . 0.0 111.136 -175.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -64.06 -30.5 71.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.654 174.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -68.49 -37.29 79.98 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.156 0.503 . . . . 0.0 109.688 175.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.598 ' O ' HG13 ' A' ' 107' ' ' ILE . 26.8 t80 -71.5 -47.32 56.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.249 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.78 -39.8 78.22 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.613 177.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.16 -34.43 78.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.73 -0.235 . . . . 0.0 111.163 177.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.44 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 4.9 ptp -80.38 -18.69 48.23 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-O 120.913 0.387 . . . . 0.0 110.655 -178.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.598 HG13 ' O ' ' A' ' 103' ' ' PHE . 78.5 mt -75.58 -32.02 24.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.897 0.856 . . . . 0.0 108.871 176.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -87.78 -30.65 20.1 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.404 -1.271 . . . . 0.0 110.915 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.347 -0.835 . . . . 0.0 110.515 178.495 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . 0.623 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . 0.65 'CA ' ' OD1' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ptp . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 111.39 0.144 . . . . 0.0 111.39 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.91 134.17 19.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.834 0.35 . . . . 0.0 110.565 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -99.74 -178.05 3.75 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.195 179.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.84 33.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -174.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.58 -15.58 3.58 Favored Glycine 0 CA--C 1.517 0.206 0 C-N-CA 121.4 -0.429 . . . . 0.0 113.363 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.9 mt -53.82 -42.76 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.545 0.688 . . . . 0.0 109.894 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.472 ' HB2' HD11 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -144.16 136.86 26.99 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.147 -0.933 . . . . 0.0 108.989 174.056 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -98.73 130.94 45.22 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -48.02 -49.33 31.45 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.696 0.76 . . . . 0.0 109.621 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.58 -46.64 83.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.301 -1.318 . . . . 0.0 112.16 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.17 -46.13 82.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.951 0.405 . . . . 0.0 111.483 -175.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.472 HD11 ' HB2' ' A' ' 7' ' ' LEU . 1.8 mp -63.9 -45.98 95.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.283 178.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.4 m -60.15 -35.68 75.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.01 178.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.11 94.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.299 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.32 -40.54 74.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.033 0.444 . . . . 0.0 110.203 178.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.419 HD13 ' HB1' ' A' ' 75' ' ' ALA . 45.5 mt -65.29 -23.65 67.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.209 178.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.36 -27.6 25.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.876 177.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.44 -43.28 70.2 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 121.423 0.63 . . . . 0.0 110.322 -177.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.49 ' HB2' ' HA ' ' A' ' 25' ' ' PHE . 21.6 p -122.41 58.07 1.07 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.168 -179.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -81.36 -11.01 59.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.078 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' ' 24' ' ' SER . . . -73.78 117.9 16.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -62.69 120.43 11.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.02 6.11 56.07 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 -176.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.448 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 36.9 m -141.65 23.48 2.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.883 0.373 . . . . 0.0 110.474 178.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.49 ' HA ' ' HB2' ' A' ' 19' ' ' CYS . 54.4 t80 -69.27 126.58 30.2 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.454 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 4.0 t70 -108.66 84.93 2.01 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.45 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 5.6 p80 -54.63 -32.23 58.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.302 -176.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.513 ' O ' HG22 ' A' ' 32' ' ' THR . 73.0 tttt -78.09 -42.26 32.67 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.522 -176.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.454 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . . . -56.88 -36.87 70.59 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 174.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.45 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 65.2 t80 -55.47 -55.13 35.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.397 175.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.421 ' CD2' ' HA ' ' A' ' 107' ' ' ILE . 24.6 m-85 -62.28 -46.99 86.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.908 -176.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.513 HG22 ' O ' ' A' ' 28' ' ' LYS . 7.6 t -71.46 -21.73 61.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.82 0.343 . . . . 0.0 111.59 -177.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 81.9 tttt -84.39 -44.1 14.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.694 0.283 . . . . 0.0 111.124 -178.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.5 m -76.27 -15.95 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 CA-C-O 120.842 0.353 . . . . 0.0 111.327 -178.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.65 17.98 29.2 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.576 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.452 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 14.9 tp -91.51 8.27 37.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.882 0.372 . . . . 0.0 111.232 -175.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.8 -24.87 16.88 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.146 0.498 . . . . 0.0 109.745 171.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -112.35 27.54 9.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.99 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -74.65 177.82 5.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.391 179.552 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.417 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 21.1 m -113.69 164.73 15.11 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.052 173.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 40' ' ' SER . 91.2 Cg_exo -45.13 -46.31 13.63 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.162 2.575 . . . . 0.0 114.361 -177.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.71 -34.08 77.47 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.718 0.294 . . . . 0.0 111.723 -176.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.6 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 4.6 m-20 -62.72 -57.68 10.12 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.733 0.778 . . . . 0.0 109.697 -178.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.438 HD12 ' HE2' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -67.84 -26.59 35.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.774 -176.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 43.3 tptt -61.96 -45.95 91.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.01 0.433 . . . . 0.0 110.396 179.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.6 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -72.82 -24.6 60.93 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.325 -0.55 . . . . 0.0 109.853 179.428 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.565 ' HA ' HD12 ' A' ' 50' ' ' ILE . 97.8 t -66.51 -34.9 73.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.814 174.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.705 ' HA ' HD11 ' A' ' 51' ' ' ILE . 19.6 m-30 -59.54 -37.66 79.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.886 173.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -69.63 -19.53 63.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.134 176.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.565 HD12 ' HA ' ' A' ' 47' ' ' VAL . 61.9 mt -73.87 -47.28 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.705 HD11 ' HA ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -64.62 -30.21 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.49 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.625 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 38.8 t0 -86.76 69.44 10.31 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 169.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -49.43 -50.51 40.51 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.33 -174.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.614 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 5.5 p-10 -76.9 -19.12 57.8 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.119 178.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.535 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 25.8 ttpp 59.87 66.95 0.92 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.731 0.777 . . . . 0.0 112.427 175.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.2 m -127.91 31.7 5.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.616 177.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 69.5 12.2 8.16 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.541 0.736 . . . . 0.0 111.802 177.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -144.22 131.95 21.27 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.621 HG21 ' HB ' ' A' ' 51' ' ' ILE . 0.5 OUTLIER -127.42 94.5 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-O 122.11 0.957 . . . . 0.0 110.307 -174.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.553 ' HG2' ' H ' ' A' ' 61' ' ' GLU . 30.9 tt0 -93.35 178.51 5.7 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.911 -173.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.553 ' H ' ' HG2' ' A' ' 60' ' ' GLU . 8.2 tt0 -56.8 -41.54 77.93 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.41 -30.08 68.21 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.343 0.592 . . . . 0.0 110.413 178.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.552 ' O ' ' HB3' ' A' ' 67' ' ' PHE . 40.6 mt-10 -79.89 -42.84 23.35 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.331 177.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.648 ' HG ' HD21 ' A' ' 87' ' ' LEU . 3.3 mm? -62.79 -18.45 62.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.491 0.662 . . . . 0.0 110.537 175.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.511 ' HD3' ' O ' ' A' ' 78' ' ' LEU . 1.4 tppt? -72.68 -52.79 13.83 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.844 178.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.462 HD22 ' NE2' ' A' ' 69' ' ' GLN . 30.6 mt -102.79 4.81 38.3 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -176.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.552 ' HB3' ' O ' ' A' ' 63' ' ' GLU . 1.0 OUTLIER -61.43 -24.4 66.51 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.696 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.643 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.5 mm? -60.62 -43.63 97.27 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.027 174.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.462 ' NE2' HD22 ' A' ' 66' ' ' LEU . 78.8 mt-30 -70.7 -15.11 62.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.969 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -86.06 -34.8 20.6 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.419 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -66.52 -48.13 70.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.416 174.9 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.45 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 49.1 m -150.83 132.8 15.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.0 176.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.89 -31.8 51.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.411 -0.813 . . . . 0.0 113.074 -170.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -114.6 72.05 0.24 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.58 -0.819 . . . . 0.0 111.924 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.419 ' HB1' HD13 ' A' ' 16' ' ' LEU . . . -122.94 148.9 44.94 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.594 0.235 . . . . 0.0 111.166 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.52 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 5.7 mpt_? -71.94 130.18 40.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.046 177.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.69 120.13 18.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.26 175.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.511 ' O ' ' HD3' ' A' ' 65' ' ' LYS . 6.4 mp -63.19 116.3 5.29 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.103 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.546 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 13.1 p -111.34 155.63 22.79 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -171.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.9 t70 54.47 -109.75 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.999 -1.0 . . . . 0.0 112.704 171.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.554 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -80.36 -20.8 43.3 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -170.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 79' ' ' SER . 2.6 mm-40 -64.6 -52.33 58.06 Favored 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.85 -39.65 81.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.182 177.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -58.18 -61.6 2.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.835 -177.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.554 HG12 ' O ' ' A' ' 81' ' ' ALA . 7.6 p -71.12 -27.93 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.963 0.411 . . . . 0.0 110.826 -176.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -69.78 -38.1 76.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.267 177.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.648 HD21 ' HG ' ' A' ' 64' ' ' LEU . 64.4 mt -64.53 -43.55 93.64 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 175.141 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -64.14 -28.45 69.77 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.835 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.75 -37.53 71.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.11 0.481 . . . . 0.0 110.907 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.412 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -107.08 -53.17 0.7 Allowed Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.145 -178.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -78.25 113.91 16.65 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.8 t -86.11 -14.27 44.72 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.142 0.496 . . . . 0.0 109.881 -172.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.617 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 0.2 OUTLIER -78.8 -27.39 44.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.387 0.613 . . . . 0.0 109.512 178.299 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 68.29 30.68 73.63 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -174.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.59 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 2.8 p30 -80.14 -8.47 59.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.673 0.273 . . . . 0.0 111.623 -172.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.22 -9.26 53.96 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.523 -0.846 . . . . 0.0 113.184 175.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.577 ' HG2' ' OD1' ' A' ' 95' ' ' ASP . 4.1 ptpp? -117.57 159.62 22.59 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.594 ' H ' HG22 ' A' ' 59' ' ' VAL . 16.1 mm -101.5 110.25 27.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.002 176.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -61.12 137.77 47.94 Favored Glycine 0 N--CA 1.437 -1.26 0 N-CA-C 108.775 -1.73 . . . . 0.0 108.775 166.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.3 m -55.09 -44.81 76.02 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.121 0 CA-C-N 117.95 0.875 . . . . 0.0 111.798 -174.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.44 -17.67 53.79 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.748 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' A' ' 99' ' ' GLY . 7.7 mm-40 -63.21 -43.97 96.62 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 170.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.559 ' CD2' HD11 ' A' ' 107' ' ' ILE . 25.6 t80 -63.05 -48.19 79.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.508 -179.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.86 -34.28 61.17 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.256 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.88 -30.71 65.69 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.489 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 7.6 ptp -77.32 -23.52 50.95 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.931 0.396 . . . . 0.0 110.45 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.559 HD11 ' CD2' ' A' ' 103' ' ' PHE . 66.6 mt -80.03 -37.46 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.697 0.761 . . . . 0.0 109.824 -178.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.416 ' HE3' ' HB3' ' A' ' 108' ' ' LYS . 0.6 OUTLIER -84.74 -12.74 53.13 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.564 -178.662 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.678 -0.677 . . . . 0.0 110.935 178.304 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . 0.625 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . 0.617 'CA ' ' OD2' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.2 mmm . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 67.46 -72.61 0.09 Allowed 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.871 0.732 . . . . 0.0 110.662 -175.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -114.79 111.34 21.1 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 174.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.72 -176.03 3.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.952 -177.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.9 19.16 2.83 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.496 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.456 HG23 ' OD2' ' A' ' 43' ' ' ASP . 25.3 mm -59.85 -36.24 65.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 173.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.68 142.98 33.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.497 176.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -101.07 109.15 21.01 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 176.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -51.26 -35.54 37.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.106 -177.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.81 -45.85 80.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.334 178.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.95 -42.84 97.2 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.104 0.478 . . . . 0.0 110.746 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.412 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.8 mp -59.79 -55.46 23.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.072 175.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.2 m -54.13 -35.55 62.32 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.646 178.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.33 -44.57 96.97 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.878 0.37 . . . . 0.0 110.64 178.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.89 96.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.515 176.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.46 ' HG ' ' HA ' ' A' ' 75' ' ' ALA . 4.4 mm? -64.84 -24.49 67.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.028 177.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.77 -36.82 62.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.857 0.36 . . . . 0.0 110.903 178.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.06 -28.85 39.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.061 0.458 . . . . 0.0 110.662 178.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.542 ' SG ' ' HA ' ' A' ' 25' ' ' PHE . 62.3 m -116.67 63.1 0.72 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.425 -178.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -109.39 2.77 20.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.194 0.521 . . . . 0.0 110.439 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.49 139.57 46.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.007 -177.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -64.26 115.55 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.955 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.06 -24.07 19.63 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 111.431 -0.668 . . . . 0.0 111.431 -176.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.8 t -96.26 -4.26 42.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.78 0.324 . . . . 0.0 110.452 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.542 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 50.5 p90 -80.55 146.73 31.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.023 0.439 . . . . 0.0 111.14 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -137.57 102.18 4.69 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 169.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -53.13 -36.76 61.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.724 -175.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.47 ' O ' HG22 ' A' ' 32' ' ' THR . 2.8 tmmm? -67.38 -50.67 58.77 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.853 -178.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.5 -34.56 64.72 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.061 177.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -56.69 -58.89 6.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.945 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -68.04 -35.96 79.1 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -174.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 28' ' ' LYS . 9.7 t -75.22 -23.26 57.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.784 0.326 . . . . 0.0 111.129 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -83.43 -46.57 12.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.737 -178.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.2 m -72.8 -10.27 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 CA-C-O 120.981 0.42 . . . . 0.0 110.938 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.18 24.85 60.58 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.516 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.491 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 11.5 tp -81.49 -18.98 43.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.099 0.476 . . . . 0.0 110.462 -178.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.74 -15.54 63.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.559 -178.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.84 38.68 3.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.912 0.387 . . . . 0.0 110.939 -178.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.491 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 29.8 mmtp -99.37 165.72 11.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.313 0.578 . . . . 0.0 112.021 -178.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.2 m -100.34 159.52 29.52 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.068 178.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -43.5 -49.19 7.89 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.43 2.753 . . . . 0.0 114.115 -177.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.88 -35.45 80.04 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.997 0.427 . . . . 0.0 111.721 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.62 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 10.1 t70 -70.76 -45.48 64.71 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -178.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.502 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 4.5 mt -71.52 -20.94 21.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.856 177.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.577 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 49.8 tptt -63.13 -45.37 92.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.99 0.424 . . . . 0.0 110.419 174.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.62 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -70.32 -22.91 62.77 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.703 -0.799 . . . . 0.0 109.362 175.624 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.583 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 78.0 t -66.72 -30.32 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.948 172.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.577 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -56.1 -47.39 78.13 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 168.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -64.72 -15.52 61.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.859 177.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.583 ' HB ' ' O ' ' A' ' 47' ' ' VAL . 32.9 mm -76.5 -53.72 14.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.752 ' HB ' HG21 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -70.18 -31.17 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 118.511 0.596 . . . . 0.0 109.483 177.465 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.577 ' CG ' ' HA ' ' A' ' 55' ' ' LYS . 8.5 t0 -83.56 77.37 9.85 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 174.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -57.06 -32.97 66.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.634 0.73 . . . . 0.0 109.743 -178.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.619 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 0.0 OUTLIER -99.46 -2.29 36.4 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.223 179.308 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.577 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 20.1 pttm 39.21 66.01 0.61 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 175.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 68.4 m -121.54 25.57 9.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.092 177.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 78.03 -2.08 2.5 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.059 0.944 . . . . 0.0 111.703 176.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -137.28 136.99 38.53 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 175.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.752 HG21 ' HB ' ' A' ' 51' ' ' ILE . 1.3 m -117.09 113.88 44.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-O 121.274 0.559 . . . . 0.0 109.561 -177.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -93.01 -177.38 4.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.258 -176.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -70.35 -47.1 62.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.809 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -58.17 -26.44 62.74 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.137 0.494 . . . . 0.0 110.008 177.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.406 ' OE2' ' HA ' ' A' ' 59' ' ' VAL . 27.8 mt-10 -72.26 -51.53 20.53 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.611 174.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.562 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -63.61 -18.87 64.36 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 111.578 -179.845 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.425 ' O ' HD23 ' A' ' 68' ' ' LEU . 20.1 mmtp -60.11 -54.75 42.23 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.218 0.532 . . . . 0.0 110.608 173.217 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.539 HD22 HE21 ' A' ' 69' ' ' GLN . 45.0 mt -103.93 5.15 35.42 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.378 -175.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.562 ' HD1' ' O ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -61.89 -24.22 66.8 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.769 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.656 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.4 mm? -60.95 -46.91 88.82 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.108 174.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.539 HE21 HD22 ' A' ' 66' ' ' LEU . 38.7 mt-30 -71.46 -12.41 61.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.917 179.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.46 ' HB3' ' O ' ' A' ' 67' ' ' PHE . 53.1 t30 -83.12 -33.29 26.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.249 175.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -82.51 -45.34 14.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.447 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.7 t -150.92 148.1 28.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.107 0.48 . . . . 0.0 110.772 -179.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.47 -8.42 59.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.167 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -107.46 15.2 38.8 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.122 179.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.46 ' HA ' ' HG ' ' A' ' 16' ' ' LEU . . . -95.45 155.11 16.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.917 0.389 . . . . 0.0 111.146 -177.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.602 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 29.2 mmm180 -106.5 148.07 28.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.693 -176.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.65 123.6 24.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.787 0.327 . . . . 0.0 110.428 176.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.7 mp -67.68 154.1 42.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.433 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.4 p -97.17 -171.82 2.3 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -169.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -48.88 -73.27 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.853 0.861 . . . . 0.0 113.296 -172.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.588 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -78.02 -22.32 49.44 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.246 -173.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -65.0 -57.44 8.69 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.508 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.567 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 6.8 m -57.82 -40.75 80.75 Favored 'General case' 0 C--O 1.226 -0.144 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.065 175.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -55.84 -60.07 3.99 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.062 -177.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 81' ' ' ALA . 10.1 p -74.48 -27.22 20.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.953 0.406 . . . . 0.0 110.93 -176.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -64.19 -36.02 82.7 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.339 -0.391 . . . . 0.0 109.972 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 83' ' ' THR . 79.8 mt -64.0 -42.28 97.22 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.107 0.479 . . . . 0.0 109.975 172.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -66.23 -17.93 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.263 -176.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.85 -23.41 67.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.137 0.494 . . . . 0.0 110.336 174.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.443 ' C ' ' HB3' ' A' ' 102' ' ' GLU . . . -120.48 -59.86 0.24 Allowed Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.536 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.613 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 26.4 t0 -72.31 105.51 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 177.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.0 t -88.78 -14.31 37.39 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.405 0.621 . . . . 0.0 109.34 -174.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.626 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 1.6 m-20 -78.25 -26.32 47.22 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.933 -176.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.48 36.7 22.71 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.777 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.589 ' HB2' ' HG2' ' A' ' 97' ' ' LYS . 58.0 m-20 -81.35 -21.04 39.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.122 0.487 . . . . 0.0 110.375 -178.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.03 24.82 23.92 Favored Glycine 0 C--N 1.33 0.199 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.684 -178.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.589 ' HG2' ' HB2' ' A' ' 95' ' ' ASP . 20.5 ptmt -134.92 178.83 6.71 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 122.929 0.491 . . . . 0.0 109.708 -175.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.589 ' HB ' ' CG2' ' A' ' 59' ' ' VAL . 8.9 mm -127.12 109.53 20.79 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.016 168.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -68.3 138.1 32.06 Favored Glycine 0 N--CA 1.436 -1.337 0 N-CA-C 109.04 -1.624 . . . . 0.0 109.04 166.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.477 HG21 ' CD1' ' A' ' 48' ' ' PHE . 84.9 t -59.68 -41.78 86.36 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.101 0 CA-C-N 117.241 0.521 . . . . 0.0 111.008 -176.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -61.17 -37.91 84.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.228 0.537 . . . . 0.0 110.163 173.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.459 ' OE2' ' HA ' ' A' ' 91' ' ' ASP . 48.6 mt-10 -67.31 -39.27 85.9 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.356 178.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.571 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . 21.1 t80 -67.32 -46.66 72.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.174 178.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.54 -31.64 60.38 Favored Glycine 0 N--CA 1.452 -0.251 0 CA-C-N 115.938 -0.573 . . . . 0.0 112.326 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.17 -39.97 82.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.527 0.203 . . . . 0.0 110.999 177.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.9 ptp -75.89 -20.11 58.31 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.722 0.296 . . . . 0.0 110.721 -178.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.557 HD11 ' CD2' ' A' ' 103' ' ' PHE . 78.4 mt -78.56 -38.19 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.823 0.821 . . . . 0.0 109.517 178.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.8 tmmm? -83.06 -17.12 44.34 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.372 -1.285 . . . . 0.0 110.699 -176.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.499 -0.762 . . . . 0.0 110.96 -179.952 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . 0.619 'CA ' ' OD1' ' A' ' 54' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . 0.626 'CA ' ' OD2' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 tmm? . . . . . 0 N--CA 1.482 1.167 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.09 142.22 43.16 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.269 0.355 . . . . 0.0 111.618 -177.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 55.81 44.93 25.23 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.368 -179.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 62.68 8.96 3.25 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.918 179.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 68.6 14.17 66.78 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.321 -178.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.492 HG23 ' OD2' ' A' ' 43' ' ' ASP . 34.6 mm -61.93 -46.17 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.542 0.687 . . . . 0.0 109.57 177.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.406 HD23 ' N ' ' A' ' 7' ' ' LEU . 1.6 pt? -132.25 127.2 35.22 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.721 177.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -76.06 105.22 6.98 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 174.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -54.98 -36.17 65.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.576 -173.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.22 -42.33 98.41 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.497 177.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -71.29 -41.31 70.14 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.005 0.431 . . . . 0.0 110.832 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.416 ' HA ' HG12 ' A' ' 34' ' ' VAL . 1.8 mp -58.07 -49.85 80.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.943 175.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.4 m -60.11 -37.4 79.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.001 178.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.4 -43.74 93.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.968 0.413 . . . . 0.0 111.166 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.94 -39.24 87.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.541 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.746 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 81.2 mt -68.04 -30.48 69.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.957 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.06 -29.27 66.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.285 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.35 -43.1 28.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.456 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.746 ' SG ' ' HA ' ' A' ' 16' ' ' LEU . 27.2 p -80.46 4.17 19.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.16 0.505 . . . . 0.0 110.995 -179.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -80.71 -18.53 47.55 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 171.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.47 109.75 18.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.756 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.47 ' HA ' ' CZ ' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -68.15 113.25 5.64 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.479 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.06 3.16 33.91 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.667 -176.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.2 m -141.83 56.69 1.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.212 0.529 . . . . 0.0 110.663 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.544 ' HB3' ' OE1' ' A' ' 82' ' ' GLU . 61.1 m-85 -96.19 130.2 43.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.368 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -137.22 91.95 2.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.434 0.635 . . . . 0.0 109.717 173.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.486 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 4.7 t60 -69.27 -26.54 64.81 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.577 -176.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.438 ' O ' HG22 ' A' ' 32' ' ' THR . 39.2 ttpt -68.84 -46.96 67.2 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 176.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.452 ' HA ' ' CG2' ' A' ' 32' ' ' THR . . . -59.13 -30.46 68.15 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.324 176.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.486 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 75.7 t80 -57.05 -57.08 14.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.225 176.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.517 ' CD2' ' HA ' ' A' ' 107' ' ' ILE . 29.0 m-85 -64.24 -38.89 92.66 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -176.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.452 ' CG2' ' HA ' ' A' ' 29' ' ' ALA . 5.0 t -75.38 -21.93 57.89 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.381 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -86.74 -44.32 11.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.115 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 30' ' ' PHE . 22.0 m -69.13 -18.08 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 CA-C-O 120.798 0.333 . . . . 0.0 111.114 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.16 22.78 40.1 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.566 177.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.554 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 15.2 tp -96.1 12.39 30.86 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-O 121.012 0.434 . . . . 0.0 111.268 -176.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.51 -22.61 18.13 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 171.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -110.33 27.73 9.34 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.008 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -72.7 174.13 8.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.603 0.716 . . . . 0.0 112.727 178.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.5 m -109.65 163.3 17.41 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.153 175.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.514 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 94.1 Cg_exo -45.26 -51.35 7.91 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.934 2.423 . . . . 0.0 113.771 -178.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.55 -22.45 63.55 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.845 0.355 . . . . 0.0 111.774 -176.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.646 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 15.4 t0 -67.09 -49.7 64.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.577 0.703 . . . . 0.0 109.129 -178.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.532 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 2.5 mt -66.88 -19.3 25.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.246 177.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.785 ' O ' ' HB3' ' A' ' 48' ' ' PHE . 27.0 mmtp -70.67 -37.03 73.62 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.895 -0.503 . . . . 0.0 111.313 175.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.646 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -72.59 -21.95 61.06 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.011 -1.076 . . . . 0.0 108.858 172.495 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.532 ' HB ' ' O ' ' A' ' 44' ' ' ILE . 92.1 t -68.75 -36.03 72.44 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.129 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.102 171.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.785 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 5.6 t80 -45.81 -48.14 15.71 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 169.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -69.63 -28.24 65.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.942 -1.026 . . . . 0.0 112.001 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.638 HG13 ' O ' ' A' ' 46' ' ' LYS . 51.0 mt -68.03 -54.29 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -175.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.883 ' HB ' HG11 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -63.85 -36.1 75.49 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.714 0 C-N-CA 119.581 -0.848 . . . . 0.0 109.175 -178.199 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.625 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 28.0 t0 -87.82 77.2 8.61 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 108.866 -0.791 . . . . 0.0 108.866 175.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.604 ' HA ' HD22 ' A' ' 70' ' ' ASN . 0.0 OUTLIER -59.74 -22.09 61.61 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -172.684 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.622 ' OD1' 'CA ' ' A' ' 201' ' ' ' CA' . 1.8 p-10 -104.1 -4.42 23.23 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.521 0.2 . . . . 0.0 110.915 176.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt 45.41 65.62 1.09 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 172.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 22.2 p -130.07 22.24 5.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.266 174.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 56' ' ' SER . 1.6 m-20 78.79 17.46 0.99 Allowed 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.188 -0.915 . . . . 0.0 113.038 172.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -141.65 130.46 22.95 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 174.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.883 HG11 ' HB ' ' A' ' 51' ' ' ILE . 46.4 t -126.07 81.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.603 -172.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -79.63 -174.2 4.17 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.698 0.285 . . . . 0.0 111.271 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.17 -39.31 94.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.689 0.281 . . . . 0.0 111.012 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.23 -28.32 66.58 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.195 0.522 . . . . 0.0 110.569 176.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.514 ' HG3' ' H ' ' A' ' 53' ' ' GLN . 1.8 tp10 -69.35 -48.25 61.91 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.673 177.185 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.461 ' HA ' ' HB3' ' A' ' 67' ' ' PHE . 4.2 mm? -63.03 -19.75 64.67 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.193 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.497 ' O ' HD23 ' A' ' 68' ' ' LEU . 12.0 mptt -66.67 -51.1 59.89 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.083 0.468 . . . . 0.0 110.68 178.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 51.6 mt -102.75 4.52 38.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.202 0.525 . . . . 0.0 111.991 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.577 ' CD2' HG22 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -60.43 -23.64 64.56 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 175.812 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 2.5 mm? -65.2 -40.2 93.87 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.833 174.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -67.79 -19.15 65.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.444 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.604 HD22 ' HA ' ' A' ' 53' ' ' GLN . 50.3 t-20 -83.6 -42.01 17.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.426 174.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.416 ' CD2' HG21 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -61.99 -46.52 88.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.74 -177.484 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.429 ' OG ' ' HB2' ' A' ' 75' ' ' ALA . 11.6 p -148.99 165.61 31.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.264 -177.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.86 -43.88 43.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.198 -177.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -107.95 80.78 0.28 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.445 179.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.529 ' HB1' ' HB3' ' A' ' 68' ' ' LEU . . . -121.65 165.28 15.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.962 0.411 . . . . 0.0 111.915 -174.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.616 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 1.2 mmp_? -110.27 125.89 53.6 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.824 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.446 ' HA ' HD23 ' A' ' 68' ' ' LEU . . . -66.21 119.91 12.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.937 0.399 . . . . 0.0 111.197 -179.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.461 ' HG ' ' HG2' ' A' ' 82' ' ' GLU . 6.2 mp -65.71 134.56 53.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.893 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.2 m -147.58 -178.79 6.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.403 -179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 65.12 -158.01 0.29 Allowed 'General case' 0 C--O 1.236 0.373 0 O-C-N 123.594 0.559 . . . . 0.0 110.609 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.685 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -55.41 -26.6 42.7 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -177.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.629 ' O ' ' HB2' ' A' ' 86' ' ' PHE . 8.3 tp10 -52.75 -51.92 58.6 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 122.604 0.362 . . . . 0.0 110.801 -177.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.833 ' O ' ' HB3' ' A' ' 87' ' ' LEU . 1.2 m -67.63 -30.35 69.89 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.821 -179.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -72.58 -61.73 1.7 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.179 0.514 . . . . 0.0 111.181 -175.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.685 HG12 ' O ' ' A' ' 81' ' ' ALA . 2.7 p -76.7 -35.77 25.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.605 -173.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.629 ' HB2' ' O ' ' A' ' 82' ' ' GLU . 22.8 m-85 -86.82 -18.41 31.07 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -174.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.833 ' HB3' ' O ' ' A' ' 83' ' ' THR . 0.1 OUTLIER -81.02 -26.73 36.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 166.303 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -70.09 -21.26 63.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.457 173.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.42 -23.58 50.32 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.172 0.51 . . . . 0.0 110.708 174.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.59 ' O ' ' HB3' ' A' ' 102' ' ' GLU . . . -103.83 -61.06 0.68 Allowed Glycine 0 N--CA 1.442 -0.916 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.875 -178.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.596 ' OD1' 'CA ' ' A' ' 202' ' ' ' CA' . 49.1 t0 -59.37 111.82 1.52 Allowed 'General case' 0 C--O 1.233 0.201 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 -177.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.5 m -87.09 -20.46 27.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.275 0.559 . . . . 0.0 110.181 -172.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.626 ' OD2' 'CA ' ' A' ' 202' ' ' ' CA' . 0.3 OUTLIER -82.78 -25.75 32.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.171 -179.02 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 70.29 43.83 61.59 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -173.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.597 ' OD2' ' HG2' ' A' ' 97' ' ' LYS . 4.4 p-10 -107.52 -8.33 16.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.578 -0.311 . . . . 0.0 110.953 -173.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.33 28.73 5.96 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.705 -0.759 . . . . 0.0 114.176 169.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.597 ' HG2' ' OD2' ' A' ' 95' ' ' ASP . 8.5 ptpp? -152.89 146.5 25.06 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 121.685 0.755 . . . . 0.0 111.008 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.568 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 20.9 mm -88.67 100.45 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.816 174.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 102' ' ' GLU . . . -62.16 138.11 45.73 Favored Glycine 0 N--CA 1.433 -1.524 0 N-CA-C 107.705 -2.158 . . . . 0.0 107.705 162.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.707 HG21 ' CD2' ' A' ' 48' ' ' PHE . 93.3 t -63.76 -37.8 80.63 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 CA-C-N 118.051 0.926 . . . . 0.0 110.938 -173.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -59.67 -44.16 93.69 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.578 172.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.59 ' HB3' ' O ' ' A' ' 90' ' ' GLY . 5.3 mm-40 -57.08 -43.97 82.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.405 176.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.647 ' O ' HG13 ' A' ' 107' ' ' ILE . 17.3 t80 -62.21 -45.65 92.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.195 -179.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -54.33 -35.5 55.79 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.323 178.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.16 -32.92 71.11 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.3 ptp -79.08 -22.73 44.86 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.95 0.405 . . . . 0.0 110.103 178.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.647 HG13 ' O ' ' A' ' 103' ' ' PHE . 67.1 mt -75.54 -35.63 32.58 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-O 121.899 0.857 . . . . 0.0 109.338 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.24 -31.85 20.06 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.965 -178.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.733 -0.651 . . . . 0.0 110.512 -179.619 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . 0.625 'CA ' ' OD1' ' A' ' 52' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . 0.626 'CA ' ' OD2' ' A' ' 93' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_