data_4bya_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 4bya _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 ' 8' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -78.81 -14.0 59.5 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 173.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 35.2 mt-10 -71.42 -33.62 69.58 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -175.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -70.48 -30.17 66.9 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 173.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.549 HG23 ' HA ' ' A' ' 69' ' ' VAL . 25.0 mm -79.36 -24.75 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.655 -179.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.418 ' HD2' ' HA ' ' A' ' 10' ' ' GLU . 98.8 mtt180 -67.99 -40.43 83.07 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.1 0.476 . . . . 0.0 110.679 173.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.465 ' HG3' HH21 ' A' ' 17' ' ' ARG . 39.8 tt0 -71.34 -37.33 71.71 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.884 176.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.31 84.86 Favored 'General case' 0 C--O 1.224 -0.28 0 O-C-N 123.116 0.26 . . . . 0.0 111.202 176.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -64.73 -36.1 83.21 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.436 0.694 . . . . 0.0 111.921 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.465 HH21 ' HG3' ' A' ' 14' ' ' GLU . 0.3 OUTLIER -80.16 -15.0 58.02 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -177.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 t -79.54 -49.97 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.716 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 170.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 1.664 ' HD1' ' CD2' ' A' ' 19' ' ' PHE . 31.9 m-85 -67.78 -26.23 66.0 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.204 -1.362 . . . . 0.0 112.354 -173.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -95.15 102.43 14.23 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.503 0.668 . . . . 0.0 109.309 168.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.11 -29.33 48.9 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 -179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -93.93 -12.08 29.57 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -173.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.22 38.68 58.85 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-O 119.223 -0.765 . . . . 0.0 114.897 177.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -101.58 -18.08 16.08 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.744 1.272 . . . . 0.0 112.043 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.19 14.2 42.9 Favored Glycine 0 C--O 1.223 -0.538 0 C-N-CA 121.091 -0.576 . . . . 0.0 113.015 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 1.625 ' HE2' ' CE1' ' A' ' 26' ' ' TYR . 74.8 m-85 -137.75 130.21 29.5 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.638 0.775 . . . . 0.0 109.402 176.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.0 mt -95.15 111.31 25.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.305 0.574 . . . . 0.0 109.587 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.8 m -90.56 174.87 7.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.256 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.08 -28.43 68.18 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.28 -31.43 69.93 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.9 0.381 . . . . 0.0 111.667 177.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -83.74 -43.62 15.29 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.557 -175.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.4 tp -63.89 -39.0 93.17 Favored 'General case' 0 C--O 1.223 -0.325 0 O-C-N 123.652 0.595 . . . . 0.0 110.64 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -61.57 -45.52 93.78 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 123.71 0.804 . . . . 0.0 111.23 176.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -65.42 -42.96 91.96 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 124.068 0.855 . . . . 0.0 111.14 -176.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.519 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 57.9 t -75.13 -29.54 21.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 O-C-N 123.388 0.43 . . . . 0.0 111.481 -176.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.8 mmt -64.94 -38.45 91.0 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 117.691 0.223 . . . . 0.0 110.983 172.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.8 m -69.17 -30.71 68.98 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 123.624 0.578 . . . . 0.0 110.602 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -73.91 -18.48 60.9 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.764 174.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 87.2 mt -88.67 -14.47 37.28 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 120.816 0.341 . . . . 0.0 110.654 175.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.59 -0.5 24.77 Favored Glycine 0 C--N 1.338 0.671 0 CA-C-N 116.136 -0.484 . . . . 0.0 113.468 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -113.5 133.07 55.43 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-O 121.428 0.632 . . . . 0.0 109.936 -174.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -103.94 105.03 15.09 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -175.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 tp -106.29 132.57 52.18 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.667 -174.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.0 p -81.44 175.86 10.19 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.715 -176.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -55.8 -45.19 78.32 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.296 1.038 . . . . 0.0 112.043 -176.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 8.7 mp0 -70.22 -39.02 75.34 Favored 'General case' 0 C--O 1.223 -0.342 0 O-C-N 123.976 0.798 . . . . 0.0 111.586 -177.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -71.58 -37.32 71.03 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.382 0.426 . . . . 0.0 112.072 -176.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.3 t -71.62 -35.77 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.51 -36.46 84.28 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 123.445 0.466 . . . . 0.0 110.987 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 24.0 mm-40 -61.82 -38.72 89.21 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.631 0.582 . . . . 0.0 111.415 173.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 57.2 mtp -77.51 -29.89 52.71 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.152 0.426 . . . . 0.0 112.152 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.3 mm -69.23 -45.66 78.95 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -72.79 -21.75 60.94 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 120.764 0.316 . . . . 0.0 111.455 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.419 ' HG2' ' CE1' ' A' ' 71' ' ' HIS . 28.3 tt0 -74.38 -40.27 62.17 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.889 0.876 . . . . 0.0 110.809 175.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.95 -29.7 21.86 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -174.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -82.2 118.53 23.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.178 0.513 . . . . 0.0 110.481 -174.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.45 HD13 ' HA ' ' A' ' 67' ' ' GLU . 90.5 mt -78.3 -40.3 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.307 -174.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.3 p30 -90.89 -12.24 36.74 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -172.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.73 45.02 55.18 Favored Glycine 0 CA--C 1.539 1.56 0 N-CA-C 114.742 0.657 . . . . 0.0 114.742 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.7 p30 -102.05 -15.13 16.86 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 117.734 0.767 . . . . 0.0 111.156 175.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.45 -6.99 59.55 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-N 116.244 -0.435 . . . . 0.0 113.854 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.536 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 27.6 mt-30 -131.96 131.31 42.51 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-O 121.894 0.854 . . . . 0.0 110.471 178.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.92 101.44 12.11 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.281 -167.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -85.49 -169.85 2.84 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.89 176.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -57.22 -57.41 12.71 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -164.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.74 -34.7 76.28 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -177.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.45 ' HA ' HD13 ' A' ' 57' ' ' ILE . 44.7 mt-10 -69.08 -36.92 78.14 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 123.787 0.835 . . . . 0.0 111.17 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -74.03 -39.59 63.45 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.551 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.549 ' HA ' HG23 ' A' ' 12' ' ' ILE . 74.1 t -66.58 -49.21 76.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-O 119.094 -0.479 . . . . 0.0 111.758 -176.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.449 ' HB2' HD12 ' A' ' 57' ' ' ILE . 78.8 mm-40 -61.34 -36.09 79.22 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.677 0.611 . . . . 0.0 111.847 -177.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.419 ' CE1' ' HG2' ' A' ' 54' ' ' GLU . 61.4 t60 -74.83 -43.15 56.12 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 123.696 0.623 . . . . 0.0 111.22 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 53.4 mmm -67.29 -42.47 83.72 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -176.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 47.5 p . . . . . 0 CA--C 1.536 0.433 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -173.658 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.46 ' O ' HG12 ' A' ' 12' ' ' ILE . 10.8 p . . . . . 0 N--CA 1.443 -0.806 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -78.2 -25.04 46.92 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.384 0.674 . . . . 0.0 110.656 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -71.98 -26.14 62.13 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.136 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -82.95 -23.18 33.55 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.18 176.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.523 HG22 ' HA ' ' A' ' 69' ' ' VAL . 16.9 mm -73.55 -22.71 19.06 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.642 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -60.82 -41.72 96.29 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.811 0.444 . . . . 0.0 111.345 171.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -66.23 -41.29 90.25 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.034 0.934 . . . . 0.0 111.121 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.55 -32.46 68.15 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.413 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -71.46 -41.21 69.7 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 122.965 0.506 . . . . 0.0 111.153 -177.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -74.38 -24.87 59.2 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 123.318 0.386 . . . . 0.0 111.914 -175.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 p -88.22 -20.13 7.48 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 CA-C-O 120.668 0.27 . . . . 0.0 110.726 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -86.4 -35.02 19.99 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.48 176.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -80.36 106.43 12.36 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 173.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' A' ' 21' ' ' LYS . 69.5 mmtt -78.25 -28.45 47.75 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -177.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -96.81 -11.41 24.93 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -174.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.96 46.54 72.51 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 114.778 0.671 . . . . 0.0 114.778 177.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 -103.29 -11.84 17.67 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.327 1.064 . . . . 0.0 111.645 177.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.0 23.26 25.65 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 121.407 -0.425 . . . . 0.0 112.349 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 1.624 ' HE2' ' CE1' ' A' ' 26' ' ' TYR . 65.1 m-85 -148.72 130.51 15.11 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 124.119 0.968 . . . . 0.0 109.56 -177.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.2 mt -101.09 103.2 14.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 173.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.406 ' HB3' ' HG2' ' A' ' 62' ' ' GLN . 73.9 p -81.86 177.46 8.86 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 120.802 0.334 . . . . 0.0 110.711 178.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.531 ' HA ' HG13 ' A' ' 52' ' ' ILE . . . -70.34 -27.44 64.36 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.695 179.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.89 -29.88 63.51 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 120.629 0.252 . . . . 0.0 111.193 176.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -75.57 -45.57 37.04 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.895 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.1 tp -67.51 -32.8 73.86 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 123.377 0.423 . . . . 0.0 110.801 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.512 ' HA ' HG22 ' A' ' 48' ' ' VAL . 68.1 ttt180 -66.22 -36.12 82.21 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.029 0.532 . . . . 0.0 110.612 176.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -72.03 -39.18 69.33 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.572 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 99.6 t -68.38 -36.48 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 122.519 0.327 . . . . 0.0 111.016 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.4 mmt -68.82 -41.1 79.07 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 53.8 m -66.05 -36.76 84.09 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 120.937 0.399 . . . . 0.0 110.516 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -63.86 -44.52 92.85 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.225 1.01 . . . . 0.0 111.984 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -76.71 -4.12 41.63 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.333 0.653 . . . . 0.0 112.582 -176.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.27 -3.36 72.49 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.413 -0.422 . . . . 0.0 112.896 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -71.64 -37.9 70.79 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.097 0.559 . . . . 0.0 110.918 -174.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mttm 58.67 42.14 20.87 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 124.551 1.157 . . . . 0.0 111.516 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.4 tp -69.25 132.33 46.3 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.053 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.4 p -76.93 167.98 20.89 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.656 0.597 . . . . 0.0 111.655 -169.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.48 -36.67 74.1 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.49 0.716 . . . . 0.0 111.703 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 34.5 mt-10 -68.43 -48.56 64.28 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.036 178.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -67.91 -35.23 78.1 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.135 0.574 . . . . 0.0 112.299 -177.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.512 HG22 ' HA ' ' A' ' 33' ' ' ARG . 53.0 t -69.23 -39.77 79.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 122.762 0.425 . . . . 0.0 110.645 177.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -63.7 -34.71 78.47 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 123.438 0.461 . . . . 0.0 110.934 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 14.0 mm-40 -62.53 -41.11 98.65 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.638 0.586 . . . . 0.0 111.226 175.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 97.8 mmm -72.69 -33.83 66.76 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.361 0.413 . . . . 0.0 111.675 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.531 HG13 ' HA ' ' A' ' 29' ' ' ALA . 27.7 mm -68.34 -47.95 75.37 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.13 0 O-C-N 123.537 0.523 . . . . 0.0 110.774 177.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.1 ptt85 -70.95 -21.68 62.3 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -78.72 -33.76 46.49 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.034 0.934 . . . . 0.0 110.915 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.31 -28.66 22.13 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.671 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -83.91 124.58 31.15 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.568 -174.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 79.5 mt -80.2 -43.32 22.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 114.308 -1.315 . . . . 0.0 111.204 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -91.55 -11.43 37.33 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -170.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.52 48.91 33.83 Favored Glycine 0 CA--C 1.535 1.306 0 N-CA-C 114.559 0.584 . . . . 0.0 114.559 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.9 p30 -105.73 -16.01 14.8 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 117.747 0.774 . . . . 0.0 112.406 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.86 -7.8 57.57 Favored Glycine 0 CA--C 1.524 0.628 0 C-N-CA 121.018 -0.61 . . . . 0.0 113.928 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.547 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 32.2 mt-30 -131.22 131.29 43.84 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-O 122.169 0.985 . . . . 0.0 111.06 175.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.2 t -101.6 101.57 12.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 CA-C-N 113.619 -1.628 . . . . 0.0 108.638 -172.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -83.62 -172.0 3.9 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 119.083 -0.484 . . . . 0.0 111.132 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.402 ' O ' HG21 ' A' ' 69' ' ' VAL . 67.7 t80 -55.43 -58.62 6.98 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -165.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 1.6 pm0 -58.98 -40.96 86.38 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.808 0.843 . . . . 0.0 112.645 -178.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.84 -39.0 90.37 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.849 0.86 . . . . 0.0 111.777 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -73.57 -34.12 64.98 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.488 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.523 ' HA ' HG22 ' A' ' 12' ' ' ILE . 69.9 t -65.36 -43.98 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-O 119.212 -0.423 . . . . 0.0 110.641 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 82.1 mm-40 -61.99 -39.47 92.33 Favored 'General case' 0 C--O 1.22 -0.47 0 O-C-N 123.635 0.584 . . . . 0.0 111.908 -174.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -81.06 -31.18 34.57 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 123.211 0.32 . . . . 0.0 111.395 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 51.5 mmm -82.51 -7.91 59.63 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.0 p . . . . . 0 CA--C 1.535 0.394 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 179.045 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.459 ' O ' HG12 ' A' ' 12' ' ' ILE . 50.6 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.144 0.497 . . . . 0.0 112.125 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 1.8 mp0 -71.24 -24.13 62.13 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 114.54 -1.209 . . . . 0.0 111.723 -173.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -65.34 -37.43 87.05 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.493 0.717 . . . . 0.0 111.38 174.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -70.75 -35.28 72.58 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.527 HG22 ' HA ' ' A' ' 69' ' ' VAL . 27.1 mm -68.65 -27.92 38.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.895 -178.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 95.9 mtt180 -68.39 -37.98 80.88 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.733 0.413 . . . . 0.0 111.251 173.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -70.63 -36.69 73.59 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.636 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.32 -42.36 83.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.799 174.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -60.53 -36.87 79.45 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.936 0.894 . . . . 0.0 112.421 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.68 -16.02 58.78 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -175.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -79.67 -44.09 23.26 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 171.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 1.648 ' HD1' ' CD2' ' A' ' 19' ' ' PHE . 41.7 m-85 -72.13 -31.25 65.83 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 114.561 -1.199 . . . . 0.0 112.423 -171.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -92.26 109.29 20.67 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 169.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.476 ' HE2' HG23 ' A' ' 35' ' ' VAL . 55.3 mttm -78.22 -27.0 47.63 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -99.22 -11.63 21.14 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -175.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.6 37.16 84.67 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-O 119.324 -0.709 . . . . 0.0 114.802 176.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -95.42 -18.9 20.33 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.407 1.103 . . . . 0.0 111.525 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 64' ' ' ASN . . . 105.17 6.59 39.15 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.856 -0.688 . . . . 0.0 113.042 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 1.598 ' HD2' ' CD1' ' A' ' 26' ' ' TYR . 73.2 m-85 -136.74 130.6 32.24 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 122.809 0.443 . . . . 0.0 110.326 177.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.4 mt -101.81 104.01 15.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.7 m -79.89 177.31 9.0 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.073 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.95 -25.8 62.89 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -176.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.81 -30.64 35.84 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 122.197 -0.314 . . . . 0.0 111.225 174.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -71.0 -51.15 27.15 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 122.628 0.371 . . . . 0.0 111.532 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.475 HD21 HG11 ' A' ' 48' ' ' VAL . 30.2 tp -62.51 -37.09 84.7 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 124.199 0.937 . . . . 0.0 110.544 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.504 ' HA ' HG22 ' A' ' 48' ' ' VAL . 18.1 ttp85 -61.16 -43.18 99.28 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 124.01 0.819 . . . . 0.0 112.418 176.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.453 ' CD2' ' HE3' ' A' ' 21' ' ' LYS . 2.7 t60 -67.84 -39.8 83.79 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 124.075 0.859 . . . . 0.0 109.94 -175.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.476 HG23 ' HE2' ' A' ' 21' ' ' LYS . 21.6 t -75.07 -33.03 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 O-C-N 123.555 0.534 . . . . 0.0 111.262 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.412 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 21.1 mmt -61.51 -38.6 87.94 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 120.796 0.331 . . . . 0.0 111.091 174.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 90.2 m -65.18 -36.57 84.63 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.453 174.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -72.26 -28.54 63.2 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.041 0.537 . . . . 0.0 111.911 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 61.1 mt -79.36 -6.97 57.97 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.153 0.581 . . . . 0.0 111.435 177.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.56 -2.49 80.56 Favored Glycine 0 C--N 1.336 0.567 0 CA-C-N 116.329 -0.396 . . . . 0.0 112.993 177.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -79.97 -39.49 30.02 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 122.214 0.205 . . . . 0.0 110.736 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 56.94 64.81 1.54 Allowed 'General case' 0 N--CA 1.472 0.651 0 O-C-N 124.928 1.393 . . . . 0.0 112.631 172.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.449 ' HB3' HG21 ' A' ' 48' ' ' VAL . 3.9 mp -80.75 138.43 36.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.765 176.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.4 p -75.33 168.86 19.19 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 123.352 0.407 . . . . 0.0 110.127 177.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -61.5 -34.72 75.97 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -173.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -74.8 -35.32 62.48 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -68.81 -39.98 79.78 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.91 0.386 . . . . 0.0 111.218 176.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' ' 33' ' ' ARG . 89.2 t -67.54 -34.93 71.37 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.39 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.376 176.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -66.66 -28.51 68.52 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 122.489 0.316 . . . . 0.0 111.32 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.66 -39.04 80.83 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.021 0.529 . . . . 0.0 110.925 172.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 98.2 mmm -72.67 -29.65 63.6 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.752 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.7 mm -67.96 -50.6 57.78 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 C-N-CA 123.509 0.724 . . . . 0.0 110.729 176.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.56 -21.53 63.62 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.55 -39.89 44.33 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 120.979 0.419 . . . . 0.0 110.444 175.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.14 -28.84 31.96 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.07 121.88 26.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.331 0.586 . . . . 0.0 111.548 -172.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.474 HD12 ' HG3' ' A' ' 70' ' ' GLN . 83.9 mt -79.79 -47.75 21.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.718 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -89.98 -11.7 40.87 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -167.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.58 54.72 9.65 Favored Glycine 0 CA--C 1.534 1.245 0 N-CA-C 114.596 0.599 . . . . 0.0 114.596 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.3 p30 -111.48 -15.33 13.56 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 117.227 0.513 . . . . 0.0 111.533 173.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.03 6.42 69.37 Favored Glycine 0 CA--C 1.528 0.867 0 CA-C-N 116.026 -0.534 . . . . 0.0 113.585 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -134.36 130.66 37.24 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 176.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.7 t -97.69 110.06 24.71 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.16 -169.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.434 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 28.4 p30 -78.79 -170.68 2.24 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.733 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -60.65 -53.08 61.75 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 8.1 pt-20 -70.93 -30.95 67.41 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -175.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -66.62 -36.6 82.97 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.133 0.573 . . . . 0.0 110.967 176.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -72.12 -39.63 68.72 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.703 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.527 ' HA ' HG22 ' A' ' 12' ' ' ILE . 71.1 t -63.95 -41.27 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 123.579 0.55 . . . . 0.0 111.072 -178.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.474 ' HG3' HD12 ' A' ' 57' ' ' ILE . 86.2 mm-40 -62.61 -38.83 91.73 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -74.95 -33.57 61.95 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 120.665 0.269 . . . . 0.0 111.228 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.489 ' HB3' HD13 ' A' ' 12' ' ' ILE . 78.4 mmm -84.54 -13.07 52.88 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -174.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.5 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.506 0.193 . . . . 0.0 111.345 176.761 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.515 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 15.5 pt-20 -69.56 -21.68 63.61 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 123.418 0.449 . . . . 0.0 110.941 174.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -58.12 -42.02 84.89 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 124.399 1.08 . . . . 0.0 111.76 175.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -65.93 -28.95 69.3 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.569 0.748 . . . . 0.0 112.022 177.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.557 HG22 ' HA ' ' A' ' 69' ' ' VAL . 17.1 mm -85.14 -22.56 7.51 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.607 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.876 -174.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 18.9 mtp180 -65.4 -39.61 92.41 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.902 0.481 . . . . 0.0 111.258 178.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -79.97 -25.22 40.45 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.068 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.416 ' O ' ' HD1' ' A' ' 19' ' ' PHE . . . -78.81 -30.03 45.14 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 122.165 -0.334 . . . . 0.0 111.043 176.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -65.94 -37.29 85.65 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.792 0.837 . . . . 0.0 111.718 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -76.89 -15.62 59.64 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 -175.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -84.67 -32.82 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 176.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 1.635 ' HD1' ' CD2' ' A' ' 19' ' ' PHE . 37.3 m-85 -82.1 -27.64 32.73 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.513 -177.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -84.66 110.01 18.43 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 170.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.513 ' HE2' ' HA ' ' A' ' 21' ' ' LYS . 5.0 mmpt? -73.82 -24.07 59.75 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -176.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -113.16 -11.76 13.24 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -172.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.25 46.12 58.66 Favored Glycine 0 CA--C 1.533 1.212 0 CA-C-O 119.415 -0.658 . . . . 0.0 114.499 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 -102.9 -13.32 16.99 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 118.318 1.059 . . . . 0.0 112.011 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.63 19.55 26.99 Favored Glycine 0 C--O 1.223 -0.541 0 C-N-CA 121.157 -0.544 . . . . 0.0 112.378 -178.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 1.64 ' HE2' ' CE1' ' A' ' 26' ' ' TYR . 72.3 m-85 -144.7 130.1 18.81 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 123.653 0.781 . . . . 0.0 109.962 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.9 mt -102.34 104.22 16.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 175.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.2 p -85.31 177.28 7.88 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.875 0.369 . . . . 0.0 110.596 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 33' ' ' ARG . . . -72.54 -21.69 61.13 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.865 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.34 -33.9 48.84 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 120.592 0.234 . . . . 0.0 110.598 175.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -73.59 -48.55 31.94 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.126 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.491 HD21 HG11 ' A' ' 48' ' ' VAL . 33.4 tp -66.19 -31.44 72.28 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.796 0.685 . . . . 0.0 110.94 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 7.7 ttp180 -63.91 -44.47 92.85 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.607 0.567 . . . . 0.0 110.559 175.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -69.71 -36.59 76.03 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.244 -176.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.417 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 95.6 t -67.13 -43.99 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 123.428 0.455 . . . . 0.0 110.999 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.505 ' HG3' HD23 ' A' ' 43' ' ' LEU . 25.3 mmt -69.54 -34.07 73.69 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 42' ' ' LYS . 61.8 m -71.62 -33.92 69.38 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.96 176.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -64.65 -35.91 82.56 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.488 0.715 . . . . 0.0 111.205 173.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 82.3 mt -74.91 -6.5 49.52 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.826 177.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.14 1.23 82.11 Favored Glycine 0 C--N 1.34 0.765 0 CA-C-N 116.587 -0.279 . . . . 0.0 112.982 175.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -83.92 -36.63 23.17 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 37' ' ' THR . 1.2 tmtp? 61.38 84.87 0.13 Allowed 'General case' 0 C--N 1.343 0.303 0 O-C-N 125.389 1.681 . . . . 0.0 109.975 177.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.505 HD23 ' HG3' ' A' ' 36' ' ' MET . 1.2 tp -87.36 129.13 35.14 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 174.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.8 p -78.53 170.73 16.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 123.378 0.424 . . . . 0.0 110.688 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.95 -31.09 70.65 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -75.08 -44.99 44.31 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.168 0.587 . . . . 0.0 111.424 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.412 ' HB3' ' HG ' ' A' ' 43' ' ' LEU . 11.8 mm-40 -62.55 -37.29 85.57 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.496 0.719 . . . . 0.0 112.077 177.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.491 HG11 HD21 ' A' ' 32' ' ' LEU . 85.9 t -70.87 -39.51 75.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.51 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.821 177.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -62.12 -38.1 87.65 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 122.795 0.438 . . . . 0.0 111.962 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -67.93 -25.89 65.69 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.047 0.539 . . . . 0.0 112.28 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 96.8 mmm -82.29 -40.12 21.96 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 122.467 0.307 . . . . 0.0 111.189 174.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 24.5 mm -64.31 -43.83 97.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 O-C-N 124.068 0.855 . . . . 0.0 111.325 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.481 ' HG3' ' HG3' ' A' ' 54' ' ' GLU . 25.0 ptt180 -63.46 -31.64 72.86 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 123.423 0.452 . . . . 0.0 112.106 -178.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.481 ' HG3' ' HG3' ' A' ' 53' ' ' ARG . 44.3 mt-10 -94.06 -13.9 26.38 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.007 0.523 . . . . 0.0 111.931 -175.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.92 -29.3 16.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.691 0.281 . . . . 0.0 110.485 174.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.76 114.85 22.36 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.709 -178.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.3 mt -80.2 -48.37 20.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 114.489 -1.232 . . . . 0.0 110.497 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -82.06 -11.94 58.53 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -168.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.92 47.61 38.01 Favored Glycine 0 CA--C 1.532 1.14 0 N-CA-C 115.23 0.852 . . . . 0.0 115.23 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.8 p30 -104.82 -16.4 14.92 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 118.31 1.055 . . . . 0.0 110.943 172.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.07 -6.59 62.0 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 114.516 0.566 . . . . 0.0 114.516 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.417 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 36.1 mt-30 -129.26 131.45 47.01 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-O 121.919 0.866 . . . . 0.0 110.085 177.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 44.7 t -89.73 102.47 13.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 CA-C-N 114.528 -1.214 . . . . 0.0 110.745 -168.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.74 -175.33 5.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.664 177.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.406 ' O ' HG21 ' A' ' 69' ' ' VAL . 62.4 t80 -57.77 -55.63 32.37 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -166.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -59.75 -33.55 71.82 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.792 0.837 . . . . 0.0 112.604 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -71.44 -38.5 71.34 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 123.785 0.834 . . . . 0.0 111.615 -178.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -72.96 -36.38 67.12 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.533 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.557 ' HA ' HG22 ' A' ' 12' ' ' ILE . 92.3 t -63.93 -44.07 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 122.649 0.38 . . . . 0.0 111.119 178.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -64.16 -32.75 74.44 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -80.39 -31.55 37.72 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 120.719 0.295 . . . . 0.0 111.043 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 69.1 mmm -82.59 -24.88 33.71 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -176.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.2 p . . . . . 0 C--N 1.327 -0.412 0 N-CA-C 111.456 0.169 . . . . 0.0 111.456 179.939 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.449 -0.523 0 CA-C-O 120.794 0.331 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 25.9 mt-10 -69.32 -16.29 63.51 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.042 0.937 . . . . 0.0 111.674 -177.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -65.96 -36.99 84.84 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.566 0.746 . . . . 0.0 112.119 175.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -69.17 -34.09 74.41 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.119 0.568 . . . . 0.0 110.325 175.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.528 HG22 ' HA ' ' A' ' 69' ' ' VAL . 14.2 mm -74.77 -22.66 17.38 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 CA-C-N 114.843 -1.071 . . . . 0.0 111.016 -176.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 81.4 mtp180 -63.77 -40.94 97.92 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.85 0.46 . . . . 0.0 111.318 173.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -81.47 -25.98 35.61 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.896 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.65 -24.01 60.99 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.848 0.356 . . . . 0.0 110.823 174.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -70.7 -25.16 62.83 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.59 175.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -78.22 -24.69 46.9 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.243 -177.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -79.25 -38.29 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-O 121.146 0.498 . . . . 0.0 109.768 177.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 1.646 ' HD1' ' CD2' ' A' ' 19' ' ' PHE . 42.6 m-85 -83.96 -30.61 26.1 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.478 -174.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -86.88 109.94 19.65 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 174.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.43 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 29.8 mmtm -77.52 -28.54 52.05 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -178.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -102.13 -11.92 18.46 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -175.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.97 42.61 84.92 Favored Glycine 0 CA--C 1.535 1.294 0 N-CA-C 114.925 0.73 . . . . 0.0 114.925 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -104.01 -13.77 16.19 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 118.438 1.119 . . . . 0.0 113.051 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.71 18.07 24.09 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.274 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 1.617 ' HE2' ' CE1' ' A' ' 26' ' ' TYR . 77.1 m-85 -144.05 130.69 20.13 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 123.75 0.82 . . . . 0.0 109.945 -179.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.9 mt -102.74 104.1 16.04 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 172.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.6 m -80.39 173.86 12.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.078 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.0 -37.06 81.01 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.627 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.47 -29.59 69.74 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -75.55 -49.91 17.22 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 122.648 0.379 . . . . 0.0 111.628 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.402 ' O ' ' HG2' ' A' ' 36' ' ' MET . 23.9 tp -64.41 -37.14 86.48 Favored 'General case' 0 C--O 1.221 -0.44 0 O-C-N 123.919 0.762 . . . . 0.0 110.646 -178.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.7 ttp85 -62.61 -44.25 96.78 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.876 0.735 . . . . 0.0 111.02 177.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -63.44 -41.82 98.67 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 124.596 1.185 . . . . 0.0 109.952 -177.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.33 -46.28 87.46 Favored 'Isoleucine or valine' 0 C--N 1.346 0.414 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.081 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 24.2 mmt -61.1 -39.53 90.33 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -178.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.605 ' HA ' ' HA ' ' A' ' 42' ' ' LYS . 29.1 m -70.24 -30.85 68.02 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 122.894 0.478 . . . . 0.0 111.486 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.42 -28.32 52.58 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 176.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.2 mt -73.87 -17.58 61.03 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.165 0.586 . . . . 0.0 111.407 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.81 -2.74 58.58 Favored Glycine 0 CA--C 1.505 -0.58 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.567 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -72.9 -36.1 67.22 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.605 ' HA ' ' HA ' ' A' ' 37' ' ' THR . 44.8 tttp 54.21 68.51 0.84 Allowed 'General case' 0 C--N 1.352 0.685 0 O-C-N 125.266 1.604 . . . . 0.0 110.634 174.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.453 HD21 HG23 ' A' ' 48' ' ' VAL . 10.7 tp -93.06 130.08 38.79 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 114.998 -1.001 . . . . 0.0 108.72 -175.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.89 163.21 23.55 Favored 'General case' 0 C--O 1.222 -0.371 0 O-C-N 123.492 0.495 . . . . 0.0 110.128 -173.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -50.75 -41.56 56.74 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.136 1.374 . . . . 0.0 114.406 -174.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 44.2 mt-10 -77.25 -29.24 53.92 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -79.47 -30.25 42.03 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.471 0.308 . . . . 0.0 111.296 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.453 HG23 HD21 ' A' ' 43' ' ' LEU . 66.3 t -75.27 -31.41 24.2 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.591 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 173.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -57.5 -40.14 78.02 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.271 0.628 . . . . 0.0 111.126 173.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 59.4 mt-10 -72.76 -38.47 67.34 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.362 176.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.7 mmm -69.24 -26.52 64.83 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.1 mm -69.43 -52.12 35.78 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.099 0 O-C-N 123.793 0.683 . . . . 0.0 110.772 173.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.86 -25.14 55.92 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -173.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.86 -8.78 59.49 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 121.143 0.496 . . . . 0.0 111.111 173.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.72 -15.05 14.85 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.302 0.641 . . . . 0.0 111.382 174.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -99.41 121.73 41.54 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.485 0.66 . . . . 0.0 110.021 -171.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.3 mt -79.49 -42.77 23.25 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.155 -175.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -92.49 -11.71 33.91 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -171.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.32 58.56 7.09 Favored Glycine 0 CA--C 1.535 1.339 0 N-CA-C 114.888 0.715 . . . . 0.0 114.888 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.4 p30 -114.74 -16.47 11.78 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 117.976 0.888 . . . . 0.0 112.625 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.08 -8.07 60.76 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 121.136 -0.554 . . . . 0.0 114.214 -176.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -130.44 131.95 45.47 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 122.224 1.012 . . . . 0.0 110.587 175.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 65.1 t -92.82 109.67 21.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 CA-C-N 114.055 -1.43 . . . . 0.0 108.785 -171.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.52 -174.54 2.09 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.92 -178.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -64.74 -44.52 89.87 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.877 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -61.67 -36.67 81.53 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 122.964 0.505 . . . . 0.0 112.266 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -78.85 -27.12 44.12 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 123.221 0.608 . . . . 0.0 111.592 -177.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.467 ' HA ' ' HD1' ' A' ' 71' ' ' HIS . 66.4 t80 -71.4 -44.0 65.75 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.038 175.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.528 ' HA ' HG22 ' A' ' 12' ' ' ILE . 86.2 t -64.84 -43.76 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 O-C-N 123.787 0.68 . . . . 0.0 111.383 -177.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -67.35 -27.26 66.98 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.467 ' HD1' ' HA ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -88.5 -20.06 25.61 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 120.968 0.413 . . . . 0.0 111.783 179.23 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 42.2 mmm -91.84 -19.33 22.64 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.179 -0.326 . . . . 0.0 111.625 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.5 p . . . . . 0 CA--C 1.536 0.413 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.696 176.528 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.8 p . . . . . 0 C--O 1.238 0.448 0 CA-C-O 120.625 0.25 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 15.7 pt-20 -69.6 -16.64 63.43 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.089 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -64.73 -38.16 90.04 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 123.394 0.678 . . . . 0.0 111.166 176.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -72.11 -30.92 65.55 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.522 176.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.532 HG23 ' HA ' ' A' ' 69' ' ' VAL . 24.6 mm -75.25 -23.93 17.31 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.048 -177.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 79.4 mtm180 -63.33 -41.56 98.91 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 122.503 0.321 . . . . 0.0 111.074 176.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -69.24 -41.74 76.56 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 123.804 0.69 . . . . 0.0 110.669 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.451 ' O ' ' HD1' ' A' ' 19' ' ' PHE . . . -64.4 -33.67 76.41 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 124.041 0.838 . . . . 0.0 111.696 178.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -63.52 -36.09 82.63 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.012 0.525 . . . . 0.0 111.45 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 55.8 mtm180 -77.96 -15.66 58.79 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -176.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -83.32 -37.82 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 173.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.451 ' HD1' ' O ' ' A' ' 15' ' ' ALA . 32.0 m-85 -77.86 -32.21 51.92 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.043 -0.98 . . . . 0.0 112.088 -174.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -89.27 107.25 18.95 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-O 121.405 0.622 . . . . 0.0 109.387 174.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 21' ' ' LYS . 71.8 mmtt -78.39 -33.33 48.91 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -93.84 -11.85 30.27 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -171.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.14 30.98 60.12 Favored Glycine 0 CA--C 1.537 1.452 0 N-CA-C 115.25 0.86 . . . . 0.0 115.25 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -94.94 -15.58 23.49 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 118.776 1.288 . . . . 0.0 112.553 -178.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.34 16.37 40.62 Favored Glycine 0 CA--C 1.522 0.47 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.765 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 1.601 ' HE2' ' CE1' ' A' ' 26' ' ' TYR . 69.4 m-85 -142.78 130.3 21.26 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 123.41 0.684 . . . . 0.0 110.079 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.8 mt -95.68 113.12 29.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 176.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.7 p -91.49 176.72 6.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.29 177.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.0 -28.22 64.27 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 122.7 0.4 . . . . 0.0 111.916 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.54 -32.15 65.87 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.095 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -77.08 -41.55 41.77 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.629 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.49 HD21 HG11 ' A' ' 48' ' ' VAL . 38.2 tp -69.13 -34.53 75.18 Favored 'General case' 0 C--O 1.223 -0.341 0 O-C-N 124.051 0.844 . . . . 0.0 111.103 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -73.13 -37.87 66.48 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.2 t60 -62.23 -50.46 71.65 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.791 0.682 . . . . 0.0 110.82 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.469 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 9.4 p -73.73 -33.08 37.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 O-C-N 123.679 0.612 . . . . 0.0 112.048 -173.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.4 mmt -66.19 -39.54 89.75 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.368 0.531 . . . . 0.0 111.262 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.607 HG21 ' HG2' ' A' ' 42' ' ' LYS . 90.4 m -65.56 -35.92 82.26 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.061 176.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -71.19 -37.39 72.15 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 178.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 87.8 mt -69.81 -28.19 65.51 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.562 0.539 . . . . 0.0 111.818 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.18 3.3 17.53 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.344 178.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -80.52 -50.82 9.52 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 122.537 0.335 . . . . 0.0 110.172 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.607 ' HG2' HG21 ' A' ' 37' ' ' THR . 62.2 mttp 57.86 81.96 0.14 Allowed 'General case' 0 N--CA 1.471 0.588 0 O-C-N 125.224 1.578 . . . . 0.0 111.175 -176.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.408 ' HG ' ' HB2' ' A' ' 47' ' ' GLU . 8.4 tp -97.64 141.8 30.22 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.871 -1.059 . . . . 0.0 108.872 -175.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -77.84 170.42 16.63 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 110.467 -0.198 . . . . 0.0 110.467 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -67.39 -32.27 73.06 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 -177.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -69.54 -39.9 77.2 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.273 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 51' ' ' MET . 51.6 mt-10 -75.92 -35.87 59.6 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.981 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.49 HG11 HD21 ' A' ' 32' ' ' LEU . 45.3 t -66.52 -37.03 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 123.005 0.522 . . . . 0.0 110.481 176.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -57.64 -43.33 84.77 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 123.623 0.577 . . . . 0.0 111.34 173.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.96 -36.65 85.07 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.27 0.628 . . . . 0.0 112.273 178.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 88.9 mmm -77.95 -27.1 49.2 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-O 119.791 -0.147 . . . . 0.0 111.083 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.4 mm -72.52 -44.84 60.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.781 0 C-N-CA 122.955 0.502 . . . . 0.0 110.759 176.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -73.42 -21.93 60.35 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -83.16 -33.35 26.25 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 120.839 0.352 . . . . 0.0 110.162 176.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.47 -32.92 54.7 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.76 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -85.7 109.56 18.7 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 122.089 0.947 . . . . 0.0 110.955 -174.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.5 mt -79.65 -35.92 17.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 114.048 -1.433 . . . . 0.0 111.432 -175.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 p30 -93.38 -11.76 31.5 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -170.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.13 48.75 30.43 Favored Glycine 0 CA--C 1.535 1.316 0 N-CA-C 115.066 0.786 . . . . 0.0 115.066 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 p30 -107.39 -16.01 14.49 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 117.717 0.758 . . . . 0.0 110.837 172.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.9 -11.28 60.7 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-N 116.018 -0.537 . . . . 0.0 113.764 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.563 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 25.0 mt-30 -128.31 131.27 48.65 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.728 0.775 . . . . 0.0 110.793 -178.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.6 t -94.96 108.03 20.29 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.162 -166.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -82.1 -177.62 6.69 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.266 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.45 ' O ' HG21 ' A' ' 69' ' ' VAL . 55.4 t80 -50.23 -53.92 24.75 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -177.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -71.95 -27.79 63.02 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -174.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -70.63 -35.65 73.03 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.196 0.522 . . . . 0.0 110.612 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -73.39 -32.88 64.72 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.043 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.532 ' HA ' HG23 ' A' ' 12' ' ' ILE . 92.4 t -67.52 -38.65 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 122.338 0.255 . . . . 0.0 110.419 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -79.11 -20.2 49.26 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -75.14 -33.42 61.52 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 122.407 -0.183 . . . . 0.0 110.719 168.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.2 mmm -84.94 -50.4 7.53 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -173.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.6 t . . . . . 0 C--O 1.237 0.429 0 CA-C-O 119.064 -0.493 . . . . 0.0 112.023 -176.454 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.569 ' O ' HG12 ' A' ' 12' ' ' ILE . 17.9 m . . . . . 0 CA--C 1.52 -0.182 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -57.0 -32.4 66.08 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.961 0.905 . . . . 0.0 112.699 -176.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -71.84 -31.85 66.94 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -177.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -84.51 -23.17 29.93 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.045 0.45 . . . . 0.0 110.227 177.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.569 HG12 ' O ' ' A' ' 8' ' ' SER . 44.0 mm -67.04 -26.86 37.7 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.07 173.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 74.0 mtt180 -61.9 -35.98 79.95 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.625 0.77 . . . . 0.0 112.558 176.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.65 -42.33 78.11 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 123.111 0.257 . . . . 0.0 110.737 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.65 -32.53 73.9 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.77 0.669 . . . . 0.0 111.534 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -64.32 -37.32 87.08 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.556 0.742 . . . . 0.0 111.564 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 49.0 mtm-85 -67.25 -31.72 72.25 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -178.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -73.12 -36.17 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-O 121.017 0.437 . . . . 0.0 110.027 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 1.621 ' HD1' ' CD2' ' A' ' 19' ' ' PHE . 21.4 m-85 -81.54 -27.48 34.39 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.054 -0.975 . . . . 0.0 112.092 -174.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -90.73 109.73 20.91 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.495 ' HE2' ' HA ' ' A' ' 21' ' ' LYS . 7.1 mmpt? -75.27 -33.56 61.26 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.464 -0.789 . . . . 0.0 113.019 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -100.64 -11.08 20.3 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -169.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.55 45.27 68.16 Favored Glycine 0 CA--C 1.532 1.152 0 N-CA-C 114.543 0.577 . . . . 0.0 114.543 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -106.32 -9.3 16.85 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.239 1.019 . . . . 0.0 112.799 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.07 20.76 37.96 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 121.294 -0.479 . . . . 0.0 112.166 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 1.643 ' HD1' ' CD2' ' A' ' 26' ' ' TYR . 96.8 m-85 -143.41 130.53 20.72 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 123.577 0.751 . . . . 0.0 109.568 -178.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.1 mt -100.77 103.01 14.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 173.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.4 m -81.54 169.39 17.16 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.82 177.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.26 -28.61 65.37 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.86 -28.07 62.3 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.709 0.29 . . . . 0.0 111.471 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -74.88 -50.83 15.62 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.338 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.497 HD21 HG11 ' A' ' 48' ' ' VAL . 38.5 tp -65.31 -33.2 75.42 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.819 0.699 . . . . 0.0 111.253 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.499 ' HA ' HG22 ' A' ' 48' ' ' VAL . 69.2 ttt180 -62.68 -45.03 94.69 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.23 0.612 . . . . 0.0 111.325 176.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -70.24 -42.4 72.28 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 119.106 -0.474 . . . . 0.0 111.426 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.8 t -63.46 -46.61 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 123.633 0.583 . . . . 0.0 111.434 -177.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.7 mmt -64.85 -43.1 94.11 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 58.5 m -67.71 -31.08 70.78 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.406 177.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -73.54 -32.49 64.23 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.035 0.534 . . . . 0.0 111.509 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.4 mt -79.03 -19.85 50.42 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.559 178.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.52 8.66 40.05 Favored Glycine 0 C--N 1.333 0.414 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.748 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -87.51 -24.18 24.17 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 122.378 0.271 . . . . 0.0 110.663 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.489 ' HE3' ' HB2' ' A' ' 42' ' ' LYS . 26.4 mtmt 62.32 41.11 10.6 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 124.64 1.212 . . . . 0.0 112.771 166.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.442 ' HG ' ' CB ' ' A' ' 47' ' ' GLU . 2.6 tp -68.59 117.48 10.38 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.4 p -78.7 177.53 8.57 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.749 -175.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -61.53 -34.74 76.06 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 43.1 mm-40 -66.83 -45.43 78.27 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 123.35 0.406 . . . . 0.0 111.414 175.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.442 ' CB ' ' HG ' ' A' ' 43' ' ' LEU . 59.0 mm-40 -69.32 -40.02 77.86 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.783 0.677 . . . . 0.0 111.885 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 33' ' ' ARG . 84.9 t -70.31 -39.41 76.62 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.181 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.801 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -63.04 -41.08 99.42 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.374 0.421 . . . . 0.0 111.2 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 61.4 mm-40 -62.37 -40.82 97.68 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.756 0.66 . . . . 0.0 111.69 176.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 91.0 mmm -72.05 -37.77 69.61 Favored 'General case' 0 C--O 1.225 -0.235 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.4 mm -69.92 -42.91 79.86 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.886 0 O-C-N 123.545 0.528 . . . . 0.0 110.724 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.6 ptt85 -73.32 -21.25 60.61 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -86.55 -28.3 23.43 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 120.729 0.299 . . . . 0.0 110.578 176.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.0 -29.32 27.07 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -82.49 107.84 15.45 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.089 -176.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.2 mt -77.92 -35.13 20.29 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 CA-C-N 113.999 -1.455 . . . . 0.0 110.961 -176.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -91.5 -11.83 36.33 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -174.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.44 56.52 9.85 Favored Glycine 0 CA--C 1.539 1.563 0 N-CA-C 115.138 0.815 . . . . 0.0 115.138 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.7 p30 -115.23 -16.1 11.56 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 117.672 0.736 . . . . 0.0 112.126 174.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.82 -10.1 60.44 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 121.11 -0.567 . . . . 0.0 114.165 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.521 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 9.5 mt-30 -128.26 131.05 48.76 Favored 'General case' 0 C--O 1.245 0.817 0 CA-C-O 122.075 0.94 . . . . 0.0 110.326 176.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.0 t -92.28 110.69 23.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 CA-C-N 114.055 -1.43 . . . . 0.0 109.033 -168.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.39 -174.82 1.75 Allowed 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.119 0.485 . . . . 0.0 109.783 -177.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -61.46 -49.31 77.3 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.162 174.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 7.5 pt-20 -58.95 -42.12 89.07 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 124.15 0.906 . . . . 0.0 112.615 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -72.04 -34.13 68.54 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 123.23 0.612 . . . . 0.0 112.099 -176.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -71.61 -40.31 69.89 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.495 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.535 ' HA ' HG22 ' A' ' 12' ' ' ILE . 94.9 t -67.67 -40.6 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 O-C-N 123.386 0.429 . . . . 0.0 111.21 -178.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 17.4 mm100 -68.31 -31.4 70.8 Favored 'General case' 0 C--O 1.225 -0.223 0 O-C-N 123.087 0.242 . . . . 0.0 111.332 -178.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -83.18 -23.98 32.66 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.524 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 64.4 mmm -85.17 -27.94 25.81 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.14 -0.35 . . . . 0.0 111.739 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.6 p . . . . . 0 C--N 1.329 -0.288 0 N-CA-C 111.525 0.195 . . . . 0.0 111.525 179.602 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.438 ' O ' HG12 ' A' ' 12' ' ' ILE . 4.1 t . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -69.26 -26.78 64.94 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.279 0.632 . . . . 0.0 111.934 -170.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -68.64 -34.76 76.29 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.311 0.645 . . . . 0.0 112.077 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -70.46 -31.95 69.3 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.235 176.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.536 HG22 ' HA ' ' A' ' 69' ' ' VAL . 25.2 mm -78.33 -26.35 14.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.526 -178.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.542 ' O ' ' HD3' ' A' ' 17' ' ' ARG . 71.6 mtt180 -63.41 -48.45 77.78 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 178.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -75.22 -25.22 57.96 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 117.48 0.127 . . . . 0.0 110.897 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.9 -30.59 66.98 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.643 0.259 . . . . 0.0 111.327 174.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -68.67 -29.98 68.56 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.185 0.594 . . . . 0.0 110.558 174.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.542 ' HD3' ' O ' ' A' ' 13' ' ' ARG . 9.3 mpt_? -75.72 -18.14 59.68 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.257 0.623 . . . . 0.0 112.109 -176.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 t -78.55 -42.89 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 174.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 1.661 ' HD2' ' CD1' ' A' ' 19' ' ' PHE . 43.5 m-85 -80.32 -33.05 37.8 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 114.763 -1.108 . . . . 0.0 112.478 -170.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -90.57 100.61 13.43 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.452 0.644 . . . . 0.0 109.975 177.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.424 ' HE2' HG23 ' A' ' 35' ' ' VAL . 72.6 mmtt -77.69 -33.42 53.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.701 -1.136 . . . . 0.0 113.567 -175.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.4 p30 -87.3 -11.51 49.3 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -173.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.27 43.33 98.65 Favored Glycine 0 CA--C 1.536 1.402 0 N-CA-C 114.71 0.644 . . . . 0.0 114.71 -177.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -104.92 -18.08 14.32 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 117.753 0.776 . . . . 0.0 111.314 177.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.28 6.77 58.65 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 121.299 -0.477 . . . . 0.0 113.907 179.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.534 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 36.1 m-85 -135.17 129.04 33.17 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 117.339 0.569 . . . . 0.0 110.025 176.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.3 mt -97.73 114.25 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 120.954 0.406 . . . . 0.0 110.284 -174.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.0 p -91.51 178.43 5.95 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.858 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.68 -21.59 63.5 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.635 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.54 -42.82 74.1 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 122.716 0.406 . . . . 0.0 111.66 176.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.413 ' O ' HG21 ' A' ' 35' ' ' VAL . 40.9 mt-10 -75.24 -43.55 50.92 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.117 -175.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.7 tp -66.52 -34.82 78.76 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 123.652 0.595 . . . . 0.0 111.374 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -68.86 -39.45 79.89 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.572 177.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -65.12 -39.65 93.37 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 123.51 0.506 . . . . 0.0 111.283 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.518 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 88.0 t -64.41 -49.6 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 O-C-N 123.666 0.604 . . . . 0.0 110.923 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.3 mmt -63.47 -37.16 86.22 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -177.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.603 ' HA ' ' HA ' ' A' ' 42' ' ' LYS . 37.8 m -73.76 -32.32 63.75 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.293 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -70.94 -28.63 64.63 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 122.864 0.466 . . . . 0.0 111.228 176.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 90.2 mt -75.81 -7.16 53.78 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.296 179.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.35 -6.47 68.42 Favored Glycine 0 C--N 1.341 0.824 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -86.37 -25.13 25.5 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 122.65 0.38 . . . . 0.0 111.595 -173.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 37' ' ' THR . 23.8 pttm 40.59 80.88 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 126.304 1.842 . . . . 0.0 114.006 -178.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 tp -82.32 135.83 35.13 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.7 160.62 32.32 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 123.749 0.656 . . . . 0.0 109.805 -177.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -63.55 -35.55 80.86 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.988 0.515 . . . . 0.0 111.858 -176.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.474 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 34.9 tt0 -62.26 -49.75 74.45 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.311 0.644 . . . . 0.0 111.303 173.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 51' ' ' MET . 49.0 mt-10 -60.41 -39.02 85.88 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 124.019 0.824 . . . . 0.0 112.38 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.0 t -69.21 -34.66 64.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 123.339 0.656 . . . . 0.0 111.296 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -67.36 -31.62 71.99 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.156 0.503 . . . . 0.0 111.128 176.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 37.2 mt-10 -74.8 -22.84 58.51 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.222 176.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.46 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 24.8 mmt -82.3 -37.43 25.82 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.452 174.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.8 mm -64.68 -44.3 96.6 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 O-C-N 123.627 0.58 . . . . 0.0 110.846 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -68.96 -21.69 64.16 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -178.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -88.17 -40.15 13.95 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.493 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.57 -22.06 30.2 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -174.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -86.17 126.92 34.59 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.147 0.499 . . . . 0.0 109.751 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.514 HG12 ' HG2' ' A' ' 67' ' ' GLU . 7.6 mm -78.95 -41.63 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.426 -172.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -99.22 -12.19 20.64 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -169.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.55 53.81 11.78 Favored Glycine 0 CA--C 1.539 1.533 0 N-CA-C 114.425 0.53 . . . . 0.0 114.425 -177.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.9 p30 -108.44 -15.08 14.53 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 117.29 0.545 . . . . 0.0 111.892 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.88 -15.83 43.98 Favored Glycine 0 CA--C 1.524 0.637 0 CA-C-O 119.929 -0.373 . . . . 0.0 113.626 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.534 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 26.8 mt-30 -132.97 137.42 46.55 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 123.362 1.553 . . . . 0.0 112.469 179.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.1 t -100.42 105.49 17.74 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 CA-C-N 112.552 -2.113 . . . . 0.0 109.583 -170.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.41 ' HB3' ' CE2' ' A' ' 26' ' ' TYR . 6.8 p30 -85.14 -174.29 5.17 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.85 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -50.23 -53.18 29.97 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -176.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.404 ' HG2' ' OD1' ' A' ' 64' ' ' ASN . 10.5 pt-20 -69.78 -32.18 70.52 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.514 ' HG2' HG12 ' A' ' 57' ' ' ILE . 47.0 mt-10 -69.47 -35.63 75.79 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.31 0.644 . . . . 0.0 111.622 177.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -72.5 -42.46 64.84 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.374 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.536 ' HA ' HG22 ' A' ' 12' ' ' ILE . 70.0 t -61.14 -43.46 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-O 119.003 -0.523 . . . . 0.0 111.239 178.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -57.4 -43.64 83.88 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.655 0.597 . . . . 0.0 112.382 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -69.62 -37.05 76.67 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 123.328 0.393 . . . . 0.0 111.776 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.414 ' HB3' HD13 ' A' ' 12' ' ' ILE . 82.3 mmm -78.37 -36.42 46.06 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -174.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 51.4 p . . . . . 0 CA--C 1.532 0.259 0 N-CA-C 111.507 0.188 . . . . 0.0 111.507 -179.078 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.2 p . . . . . 0 N--CA 1.45 -0.456 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 13.1 pt-20 -67.63 -20.91 65.39 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -174.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 43.8 mt-10 -78.91 -25.07 43.75 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.604 0.362 . . . . 0.0 111.766 -178.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -73.55 -32.22 64.06 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 170.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.532 HG22 ' HA ' ' A' ' 69' ' ' VAL . 23.0 mm -73.76 -25.92 21.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.669 178.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 69.1 mtt180 -66.12 -36.55 83.45 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.641 0.376 . . . . 0.0 110.685 174.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -77.38 -39.13 48.31 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.073 177.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.404 ' O ' ' HD1' ' A' ' 19' ' ' PHE . . . -65.1 -31.54 72.8 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.649 0.593 . . . . 0.0 111.336 178.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -65.14 -35.89 82.52 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 123.357 0.663 . . . . 0.0 111.238 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 39.0 mtm180 -76.19 -15.05 60.13 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -179.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -84.51 -42.36 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 172.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.504 ' HA ' HG22 ' A' ' 35' ' ' VAL . 35.8 m-85 -75.05 -34.85 61.9 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.888 -175.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -84.68 109.86 18.33 Favored 'General case' 0 C--O 1.228 -0.073 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 169.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.514 ' HE3' ' HA ' ' A' ' 31' ' ' GLU . 6.4 mtmp? -77.17 -26.63 53.15 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -176.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -104.68 -12.05 16.57 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -173.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.65 40.1 77.36 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-O 119.341 -0.699 . . . . 0.0 114.804 177.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -99.68 -14.13 19.04 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 118.424 1.112 . . . . 0.0 112.625 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.09 13.3 29.4 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.693 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 1.617 ' HD1' ' CD2' ' A' ' 26' ' ' TYR . 96.1 m-85 -143.78 130.56 20.31 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 123.371 0.668 . . . . 0.0 110.58 -175.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.4 ' HB ' ' HB ' ' A' ' 63' ' ' VAL . 60.3 mt -103.14 106.2 19.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 175.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.0 m -83.19 177.25 8.64 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.245 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.34 -52.88 60.17 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 123.53 0.519 . . . . 0.0 111.837 175.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.17 -23.92 67.65 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -177.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.514 ' HA ' ' HE3' ' A' ' 21' ' ' LYS . 49.1 mt-10 -77.34 -51.63 10.52 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 122.289 0.236 . . . . 0.0 111.595 -179.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.4 tp -65.9 -33.68 76.39 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 123.713 0.633 . . . . 0.0 110.932 177.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.92 -51.45 63.72 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.878 1.271 . . . . 0.0 111.798 173.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -68.58 -37.02 79.5 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 123.754 0.659 . . . . 0.0 111.327 -175.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' ' 19' ' ' PHE . 58.8 t -67.25 -41.03 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 O-C-N 123.276 0.36 . . . . 0.0 111.231 -178.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.503 ' HG3' HD23 ' A' ' 43' ' ' LEU . 24.8 mmt -73.49 -25.32 60.4 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.014 0.435 . . . . 0.0 111.742 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.465 ' HA ' ' HA ' ' A' ' 42' ' ' LYS . 67.2 m -74.51 -32.8 62.62 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.83 173.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -66.48 -34.34 77.71 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.313 0.645 . . . . 0.0 111.816 174.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -79.77 2.68 22.03 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.334 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.68 -15.54 58.39 Favored Glycine 0 C--N 1.339 0.708 0 CA-C-N 116.508 -0.314 . . . . 0.0 113.549 170.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -75.5 -33.77 60.78 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -172.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 37' ' ' THR . 43.7 mttp 59.12 77.17 0.32 Allowed 'General case' 0 N--CA 1.48 1.051 0 O-C-N 124.898 1.373 . . . . 0.0 110.88 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.503 HD23 ' HG3' ' A' ' 36' ' ' MET . 3.7 tp -79.22 122.13 25.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.525 -171.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.1 p -79.91 175.98 10.14 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.182 -177.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -62.4 -38.82 91.14 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.908 0.483 . . . . 0.0 111.727 -173.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -67.18 -40.79 86.64 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.861 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -70.51 -42.89 70.69 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.376 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.416 HG23 HD21 ' A' ' 43' ' ' LEU . 97.7 t -65.41 -42.3 93.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 123.298 0.639 . . . . 0.0 111.657 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.17 -36.97 78.77 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 123.812 0.695 . . . . 0.0 111.534 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -75.51 -33.49 60.76 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.176 177.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.429 ' HG3' HD22 ' A' ' 43' ' ' LEU . 25.5 mmt -74.45 -29.73 61.59 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 122.46 0.304 . . . . 0.0 111.483 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.1 mm -65.74 -49.73 75.59 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.088 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.388 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.9 ptp85 -71.55 -21.69 61.86 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -76.25 -35.43 58.97 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.772 0.32 . . . . 0.0 110.608 176.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.71 -22.08 23.54 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -92.29 139.52 30.52 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 122.921 0.488 . . . . 0.0 110.147 -175.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.3 mt -79.91 -55.82 8.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.03 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -86.34 -12.04 50.45 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -167.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.04 50.46 22.9 Favored Glycine 0 CA--C 1.532 1.112 0 N-CA-C 114.559 0.584 . . . . 0.0 114.559 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.9 p30 -105.8 -16.07 14.77 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 117.689 0.745 . . . . 0.0 112.433 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.81 -13.16 50.04 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 120.997 -0.62 . . . . 0.0 113.925 -176.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -125.99 131.73 52.17 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 122.25 1.024 . . . . 0.0 110.845 176.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.4 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 22.6 t -102.84 106.86 20.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 CA-C-N 113.506 -1.679 . . . . 0.0 107.692 -170.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -77.11 -174.21 3.09 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 -176.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.454 ' O ' HG21 ' A' ' 69' ' ' VAL . 52.2 t80 -59.34 -53.58 56.57 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.731 177.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -61.08 -34.78 75.47 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.442 1.097 . . . . 0.0 112.174 -177.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -75.92 -33.53 59.87 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.237 -177.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -71.72 -44.39 64.22 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.702 176.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.532 ' HA ' HG22 ' A' ' 12' ' ' ILE . 58.1 t -62.21 -41.41 91.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 O-C-N 123.581 0.551 . . . . 0.0 111.289 -177.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -39.52 93.7 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-O 118.835 -0.602 . . . . 0.0 112.235 -179.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -69.07 -38.0 78.79 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.397 0.436 . . . . 0.0 111.067 177.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 77.5 mmm -71.23 -23.04 61.93 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.099 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.7 p . . . . . 0 C--N 1.33 -0.253 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.481 ' O ' HG12 ' A' ' 12' ' ' ILE . 79.5 p . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 120.675 0.274 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.79 -22.88 61.51 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.693 -175.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -77.34 -25.21 50.89 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.4 177.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -76.79 -25.15 53.02 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.773 171.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.523 HG22 ' HA ' ' A' ' 69' ' ' VAL . 34.1 mm -77.99 -22.21 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.339 176.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.444 ' HG2' ' CE1' ' A' ' 65' ' ' TYR . 99.8 mtt180 -62.8 -36.97 84.9 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.172 0.589 . . . . 0.0 112.06 175.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -71.37 -38.46 71.54 Favored 'General case' 0 C--O 1.223 -0.328 0 O-C-N 123.62 0.575 . . . . 0.0 109.728 178.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.62 -30.78 67.52 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.669 178.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -66.51 -39.07 88.48 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.666 0.786 . . . . 0.0 111.871 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -15.75 60.48 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -177.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.6 t -79.52 -44.22 23.56 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 173.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.466 ' HA ' HG22 ' A' ' 35' ' ' VAL . 28.7 m-85 -73.73 -26.34 60.63 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.839 -1.073 . . . . 0.0 112.031 -174.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -86.63 110.25 19.72 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 168.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.445 ' HE3' ' HA ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -72.04 -18.54 61.94 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.517 1.302 . . . . 0.0 114.517 -175.435 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.15 -10.68 11.46 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -176.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.0 43.69 90.56 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-O 119.551 -0.583 . . . . 0.0 114.2 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -102.05 -17.57 16.0 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.36 1.08 . . . . 0.0 112.25 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.69 2.45 37.21 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 120.947 -0.645 . . . . 0.0 113.448 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 1.593 ' HE2' ' CE1' ' A' ' 26' ' ' TYR . 67.9 m-85 -133.74 130.0 37.47 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 176.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.419 ' HB ' ' HB ' ' A' ' 63' ' ' VAL . 55.6 mt -104.66 114.19 43.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.0 m -95.31 177.66 5.77 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.453 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.59 -31.21 68.11 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 122.817 0.447 . . . . 0.0 111.827 -178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.85 -33.32 74.54 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 122.769 0.428 . . . . 0.0 111.294 175.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.434 ' O ' HG21 ' A' ' 35' ' ' VAL . 50.3 mt-10 -74.23 -46.15 43.54 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.043 178.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.472 HD21 HG11 ' A' ' 48' ' ' VAL . 60.5 tp -66.18 -36.06 82.11 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.833 0.708 . . . . 0.0 111.593 -178.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -68.13 -35.27 77.84 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.297 0.373 . . . . 0.0 110.436 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -70.62 -37.35 73.81 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-O 119.297 -0.382 . . . . 0.0 110.571 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.466 HG22 ' HA ' ' A' ' 19' ' ' PHE . 90.5 t -63.97 -40.26 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.225 0.61 . . . . 0.0 110.843 175.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.4 mmt -60.36 -44.03 95.96 Favored 'General case' 0 C--O 1.222 -0.352 0 O-C-N 123.59 0.556 . . . . 0.0 111.058 175.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.2 m -70.11 -27.22 64.41 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.015 0.526 . . . . 0.0 111.809 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -68.35 -34.14 75.55 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.811 0.444 . . . . 0.0 111.153 174.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -85.76 1.93 47.61 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.491 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.38 19.32 55.27 Favored Glycine 0 C--N 1.339 0.716 0 C-N-CA 121.357 -0.449 . . . . 0.0 113.414 176.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -114.47 159.67 20.08 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -130.55 82.77 2.07 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.171 0.51 . . . . 0.0 110.532 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -78.03 130.77 36.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.29 174.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.0 p -78.11 172.93 12.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.529 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.03 -29.35 70.51 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -66.5 -45.56 79.19 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.768 0.667 . . . . 0.0 111.586 174.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -71.56 -40.91 69.67 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.734 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.472 HG11 HD21 ' A' ' 32' ' ' LEU . 95.1 t -68.89 -37.72 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 O-C-N 123.836 0.71 . . . . 0.0 110.936 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -60.69 -39.65 89.26 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 122.961 0.504 . . . . 0.0 112.114 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.523 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 53.4 mt-10 -74.71 -26.94 60.15 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.365 0.416 . . . . 0.0 111.781 -179.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.3 mmt -72.79 -39.82 66.39 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.31 0.381 . . . . 0.0 110.539 173.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.2 mm -65.95 -46.98 86.87 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.895 0 O-C-N 123.961 0.788 . . . . 0.0 110.932 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.523 ' HG2' ' HA ' ' A' ' 50' ' ' GLU . 28.4 ptt180 -71.14 -21.89 62.13 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -175.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -87.05 -30.27 21.29 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.933 0.397 . . . . 0.0 110.354 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.19 -21.32 31.31 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.676 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.33 114.79 26.93 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.685 0.755 . . . . 0.0 110.638 -177.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.3 mt -79.69 -41.48 21.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 114.284 -1.326 . . . . 0.0 110.87 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -91.69 -11.17 37.67 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.358 0.874 . . . . 0.0 113.358 -171.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.38 49.87 29.7 Favored Glycine 0 CA--C 1.534 1.279 0 N-CA-C 114.951 0.74 . . . . 0.0 114.951 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.2 p30 -108.55 -15.83 14.34 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-N 117.914 0.857 . . . . 0.0 111.968 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.18 -12.99 63.6 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 121.046 -0.597 . . . . 0.0 113.93 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.488 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 33.0 mt-30 -119.46 131.07 55.54 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 117.904 0.852 . . . . 0.0 109.691 177.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.419 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 53.5 t -96.33 109.23 22.49 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 CA-C-N 114.164 -1.38 . . . . 0.0 107.81 -171.292 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.73 -174.85 2.71 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.409 -177.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.444 ' CE1' ' HG2' ' A' ' 13' ' ' ARG . 43.8 t80 -62.08 -51.53 67.56 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.925 176.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -61.81 -36.91 82.52 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.025 0.93 . . . . 0.0 112.749 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -70.6 -37.36 73.86 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 123.734 0.647 . . . . 0.0 111.765 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -69.26 -38.4 78.38 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.622 176.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.523 ' HA ' HG22 ' A' ' 12' ' ' ILE . 46.9 t -64.26 -38.95 83.84 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.55 0 O-C-N 123.835 0.709 . . . . 0.0 111.179 -177.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -69.51 -31.23 69.34 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -178.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -80.61 -20.06 44.05 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.776 177.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.471 ' HB3' HD13 ' A' ' 12' ' ' ILE . 92.8 mmm -92.33 -33.96 14.4 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -178.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.9 p . . . . . 0 N--CA 1.463 0.199 0 O-C-N 123.065 0.228 . . . . 0.0 111.33 -178.638 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.479 ' O ' HG12 ' A' ' 12' ' ' ILE . 56.1 p . . . . . 0 N--CA 1.451 -0.418 0 CA-C-O 120.737 0.303 . . . . 0.0 110.482 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 14.7 mp0 -70.42 -20.42 62.92 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 123.521 0.728 . . . . 0.0 111.619 -173.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -64.19 -39.34 93.79 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.54 0.736 . . . . 0.0 111.176 175.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -75.11 -33.45 61.59 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.333 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.545 HG22 ' HA ' ' A' ' 69' ' ' VAL . 12.2 mm -74.96 -22.64 17.11 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.66 -177.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 43.4 mtp-105 -57.77 -56.18 25.31 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 122.705 0.402 . . . . 0.0 111.03 172.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -68.37 -30.91 69.96 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.305 1.003 . . . . 0.0 112.462 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.66 -44.8 77.02 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 117.914 0.325 . . . . 0.0 111.053 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -63.29 -31.98 73.27 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.632 0.773 . . . . 0.0 110.91 174.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -73.86 -24.96 59.82 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.178 -1.374 . . . . 0.0 112.282 -174.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 t -70.72 -46.97 66.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 172.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 1.631 ' HD1' ' CD2' ' A' ' 19' ' ' PHE . 57.9 m-85 -73.18 -36.46 66.58 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.202 -1.363 . . . . 0.0 112.073 -169.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -82.61 108.4 15.97 Favored 'General case' 0 C--N 1.341 0.229 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 173.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -78.4 -34.26 48.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.029 -0.987 . . . . 0.0 112.885 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -97.33 -11.5 23.97 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -170.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.5 46.58 62.0 Favored Glycine 0 CA--C 1.531 1.09 0 CA-C-O 119.579 -0.567 . . . . 0.0 114.454 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -106.03 -4.8 20.07 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.201 1.001 . . . . 0.0 112.186 178.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 64' ' ' ASN . . . 87.28 23.21 41.36 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 121.46 -0.4 . . . . 0.0 112.728 -178.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 1.628 ' HD2' ' CD1' ' A' ' 26' ' ' TYR . 38.6 m-85 -147.44 130.55 16.39 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.706 0.803 . . . . 0.0 110.776 -178.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.9 mt -98.83 104.81 16.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 169.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.4 p -84.03 176.16 9.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.65 0.262 . . . . 0.0 110.462 177.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.41 -26.5 68.01 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.178 -0.464 . . . . 0.0 112.113 174.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.79 -39.73 69.69 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.563 0.22 . . . . 0.0 111.419 176.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -73.11 -44.76 59.87 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.549 -178.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.418 HD21 HG11 ' A' ' 48' ' ' VAL . 33.7 tp -67.96 -34.98 77.6 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 123.855 0.722 . . . . 0.0 111.15 -178.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -65.41 -39.62 92.4 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.156 0.285 . . . . 0.0 110.953 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -63.38 -48.04 79.53 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.279 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.498 HG22 ' HA ' ' A' ' 19' ' ' PHE . 60.6 t -65.89 -42.24 91.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 O-C-N 123.715 0.635 . . . . 0.0 111.248 -176.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.4 mmt -57.31 -48.15 79.67 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.928 0.491 . . . . 0.0 112.218 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.461 HG21 ' HG2' ' A' ' 42' ' ' LYS . 23.3 m -71.71 -30.85 66.1 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.589 -177.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.09 -29.22 61.75 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.028 0.531 . . . . 0.0 112.145 178.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 87.4 mt -87.02 -2.12 58.39 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.89 -0.27 62.55 Favored Glycine 0 C--N 1.338 0.687 0 C-N-CA 121.296 -0.478 . . . . 0.0 113.603 174.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -80.67 -44.31 19.0 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.519 0.327 . . . . 0.0 110.731 -177.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.461 ' HG2' HG21 ' A' ' 37' ' ' THR . 35.7 mtmm 61.67 85.96 0.11 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.154 1.382 . . . . 0.0 112.524 178.431 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.2 mp -101.38 135.89 42.11 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.985 175.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 79.7 p -82.15 178.12 8.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.542 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -59.08 -39.63 82.77 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.247 0.619 . . . . 0.0 112.522 -173.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -77.71 -32.36 52.86 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.777 -177.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -77.52 -32.0 53.77 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 122.564 0.346 . . . . 0.0 111.294 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.418 HG11 HD21 ' A' ' 32' ' ' LEU . 53.1 t -66.97 -37.66 79.82 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.041 173.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.5 -30.22 69.85 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 123.343 0.402 . . . . 0.0 111.45 177.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -64.44 -34.1 77.4 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.928 0.491 . . . . 0.0 111.962 174.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 94.4 mmm -82.62 -31.29 28.9 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.813 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 18.7 mm -65.86 -47.48 85.44 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 O-C-N 123.602 0.563 . . . . 0.0 110.426 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -69.74 -22.86 63.34 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -177.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -82.84 -26.69 31.44 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 121.14 0.495 . . . . 0.0 110.613 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -95.99 -26.54 15.51 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -88.93 121.83 31.69 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.647 0.737 . . . . 0.0 111.087 -174.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 78.6 mt -80.16 -46.52 21.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 114.146 -1.388 . . . . 0.0 111.151 -176.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -88.48 -12.3 43.39 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -169.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.18 49.44 26.86 Favored Glycine 0 CA--C 1.538 1.478 0 N-CA-C 114.989 0.755 . . . . 0.0 114.989 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.3 p30 -106.22 -16.59 14.55 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 118.239 1.019 . . . . 0.0 112.504 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.85 -12.5 49.78 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 121.05 -0.595 . . . . 0.0 113.81 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.549 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 29.8 mt-30 -130.91 131.55 44.55 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 121.959 0.885 . . . . 0.0 111.196 177.017 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.0 t -90.56 112.44 24.96 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 CA-C-N 114.012 -1.449 . . . . 0.0 110.127 -171.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' A' ' 25' ' ' GLY . 48.2 m-80 -65.01 178.55 0.81 Allowed 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.56 0.695 . . . . 0.0 112.212 175.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -64.51 -45.85 85.5 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.94 168.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -56.89 -39.98 75.4 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.426 0.691 . . . . 0.0 112.32 175.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -74.68 -34.55 62.7 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.929 -176.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -75.16 -39.81 60.06 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.892 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.545 ' HA ' HG22 ' A' ' 12' ' ' ILE . 92.0 t -66.31 -38.22 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 119.197 -0.43 . . . . 0.0 110.898 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -65.69 -35.55 81.1 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 177.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -73.99 -32.26 63.33 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 123.142 0.276 . . . . 0.0 111.245 178.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 72.4 mmm -86.13 -19.81 29.59 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -175.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.8 p . . . . . 0 CA--C 1.534 0.347 0 CA-C-O 121.137 0.494 . . . . 0.0 110.417 172.532 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.57 ' O ' HG12 ' A' ' 12' ' ' ILE . 76.7 p . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -63.6 -27.98 69.61 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -172.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -79.55 -25.97 41.52 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 178.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -81.28 -22.53 38.58 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.203 0.525 . . . . 0.0 109.882 174.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 8' ' ' SER . 50.3 mm -65.36 -28.24 43.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.321 173.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.401 ' O ' ' HG2' ' A' ' 17' ' ' ARG . 69.3 mtp180 -65.27 -37.51 87.43 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 122.785 0.434 . . . . 0.0 111.354 176.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -77.12 -35.42 56.27 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.797 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.07 -23.31 62.11 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.078 174.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -72.39 -27.1 62.15 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.445 175.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 15.1 mmm-85 -79.72 -19.81 47.96 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 111.522 0.193 . . . . 0.0 111.522 -177.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.1 t -74.83 -38.53 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -86.68 -36.02 18.96 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.849 -173.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -92.22 101.19 13.69 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 24.0 mmtp -78.37 -28.95 47.14 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -90.71 -10.91 41.31 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -175.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.15 31.47 72.03 Favored Glycine 0 CA--C 1.533 1.159 0 N-CA-C 115.079 0.792 . . . . 0.0 115.079 176.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -93.02 -18.3 22.85 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 118.54 1.17 . . . . 0.0 112.664 -177.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.27 13.96 37.3 Favored Glycine 0 C--N 1.338 0.657 0 C-N-CA 120.889 -0.672 . . . . 0.0 113.046 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 1.605 ' HE2' ' CE1' ' A' ' 26' ' ' TYR . 70.6 m-85 -142.02 130.23 22.19 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 123.912 0.885 . . . . 0.0 109.543 -179.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.3 mt -101.93 109.53 26.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.3 t -90.6 174.87 7.28 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.666 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.06 -27.96 67.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.109 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.4 -30.48 68.46 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 177.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -81.41 -42.76 19.92 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.986 -177.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.6 tp -65.77 -36.9 84.86 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 123.579 0.549 . . . . 0.0 110.69 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -64.12 -41.39 97.24 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 123.765 0.666 . . . . 0.0 111.056 176.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 50.7 t60 -67.41 -38.55 84.79 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 123.802 0.689 . . . . 0.0 111.298 -178.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.7 t -71.13 -45.26 72.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 O-C-N 123.418 0.449 . . . . 0.0 111.194 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.459 ' HG3' HD23 ' A' ' 43' ' ' LEU . 24.3 mmt -65.42 -40.24 93.11 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -176.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.534 HG21 ' HG3' ' A' ' 42' ' ' LYS . 46.5 m -68.61 -33.07 73.41 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 123.291 0.37 . . . . 0.0 111.303 179.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -72.41 -32.14 66.11 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 122.843 0.457 . . . . 0.0 111.103 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.3 mt -72.39 -12.04 60.94 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 122.926 0.49 . . . . 0.0 111.762 175.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.97 3.35 83.07 Favored Glycine 0 C--N 1.337 0.594 0 C-N-CA 121.727 -0.273 . . . . 0.0 112.574 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -78.38 -40.54 35.89 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 176.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.534 ' HG3' HG21 ' A' ' 37' ' ' THR . 79.9 tttt 56.68 86.81 0.06 Allowed 'General case' 0 C--N 1.346 0.455 0 O-C-N 125.521 1.763 . . . . 0.0 111.657 174.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.459 HD23 ' HG3' ' A' ' 36' ' ' MET . 5.5 tp -90.12 131.16 36.12 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.865 -174.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.9 m -71.0 165.74 22.81 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.479 0.712 . . . . 0.0 110.426 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -51.93 -48.2 64.34 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.224 1.01 . . . . 0.0 112.502 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.565 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 43.3 mp0 -66.79 -43.88 82.76 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 123.94 0.775 . . . . 0.0 110.948 177.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.86 -32.34 73.54 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -174.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.0 t -70.42 -41.92 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 175.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.81 -34.55 78.17 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 123.817 0.698 . . . . 0.0 111.293 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 18.5 mm-40 -62.8 -41.92 99.48 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 123.542 0.526 . . . . 0.0 111.421 175.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 92.5 mmm -78.14 -28.73 48.48 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -177.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.6 mm -64.71 -51.44 67.36 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.87 0 O-C-N 123.496 0.498 . . . . 0.0 109.737 171.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.1 ptt85 -72.17 -22.35 61.3 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -174.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -77.56 -33.92 53.89 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 120.949 0.404 . . . . 0.0 110.582 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.63 -19.84 21.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.159 -177.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -83.98 123.5 30.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.884 -177.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.427 HD12 ' HB2' ' A' ' 70' ' ' GLN . 66.4 mt -79.15 -42.74 23.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.984 -175.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -94.23 -12.24 28.61 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -171.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.11 59.11 6.64 Favored Glycine 0 CA--C 1.534 1.249 0 N-CA-C 114.727 0.651 . . . . 0.0 114.727 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.6 p30 -115.34 -15.72 11.53 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 118.001 0.9 . . . . 0.0 112.224 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.2 -12.5 48.47 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 120.841 -0.695 . . . . 0.0 114.452 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -130.92 135.12 47.38 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 122.404 1.097 . . . . 0.0 110.957 175.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.8 t -94.32 109.82 22.7 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 CA-C-N 113.102 -1.863 . . . . 0.0 107.235 -171.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -73.94 -174.12 1.76 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.906 -177.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.488 ' O ' HG21 ' A' ' 69' ' ' VAL . 77.9 t80 -62.89 -51.17 68.0 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.003 175.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -60.56 -34.53 74.3 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.235 1.014 . . . . 0.0 112.942 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -75.87 -29.31 58.47 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.489 -177.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.544 ' HA ' ' HD1' ' A' ' 71' ' ' HIS . 48.8 t80 -74.96 -40.85 60.53 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.679 174.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.546 ' HA ' HG23 ' A' ' 12' ' ' ILE . 52.4 t -66.6 -46.41 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 119.145 -0.455 . . . . 0.0 111.396 -176.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.427 ' HB2' HD12 ' A' ' 57' ' ' ILE . 75.7 mm-40 -64.45 -36.87 85.58 Favored 'General case' 0 C--O 1.221 -0.423 0 O-C-N 123.405 0.441 . . . . 0.0 112.056 -177.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.544 ' HD1' ' HA ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -77.49 -24.23 50.16 Favored 'General case' 0 CA--C 1.552 1.038 0 O-C-N 123.708 0.63 . . . . 0.0 111.069 -177.219 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 51.1 mmm -92.28 -25.34 18.64 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 123.099 0.56 . . . . 0.0 112.356 -175.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.1 p . . . . . 0 C--O 1.232 0.169 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.833 177.397 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.464 ' O ' HG12 ' A' ' 12' ' ' ILE . 22.4 m . . . . . 0 N--CA 1.463 0.195 0 N-CA-C 111.27 0.1 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -18.18 63.97 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.934 0.494 . . . . 0.0 111.542 177.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.51 ' HA ' HH11 ' A' ' 13' ' ' ARG . 10.1 tp10 -63.3 -37.33 86.82 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.168 0.987 . . . . 0.0 111.083 172.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -79.87 -30.33 40.22 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.221 178.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.504 HG22 ' HA ' ' A' ' 69' ' ' VAL . 18.3 mm -72.05 -22.41 21.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.254 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.51 HH11 ' HA ' ' A' ' 10' ' ' GLU . 63.1 mtt85 -58.44 -48.37 80.93 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 173.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -81.67 -26.27 34.86 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.752 0.31 . . . . 0.0 111.2 -178.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.432 ' O ' ' HD1' ' A' ' 19' ' ' PHE . . . -70.61 -30.5 67.18 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.021 174.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -70.54 -35.31 73.06 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 123.054 0.542 . . . . 0.0 110.384 175.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.9 mtp85 -69.7 -24.2 63.54 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -175.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.0 p -87.94 -20.35 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 CA-C-O 120.915 0.388 . . . . 0.0 111.285 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 1.653 ' HD1' ' CD2' ' A' ' 19' ' ' PHE . 49.3 m-85 -91.75 -26.74 18.44 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 122.322 -0.236 . . . . 0.0 111.271 177.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -85.79 109.85 18.95 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 172.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -74.93 -25.96 59.27 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.865 -1.061 . . . . 0.0 113.708 -174.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -110.32 -11.75 14.5 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -173.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.57 24.61 67.29 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-O 118.831 -0.983 . . . . 0.0 115.144 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -87.46 -18.81 29.05 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 119.272 1.536 . . . . 0.0 112.838 -175.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.08 10.44 34.42 Favored Glycine 0 C--O 1.219 -0.8 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.196 -178.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -138.01 130.26 28.99 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.506 0.722 . . . . 0.0 109.475 174.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.4 mt -94.95 108.59 21.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 175.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 m -84.16 172.78 11.61 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.69 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.555 ' O ' ' HB2' ' A' ' 33' ' ' ARG . . . -70.65 -26.21 63.35 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.846 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.49 -29.51 52.61 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.62 0.247 . . . . 0.0 111.221 175.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.455 ' O ' HG21 ' A' ' 35' ' ' VAL . 51.7 mt-10 -70.63 -54.41 12.08 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.119 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.459 HD12 ' HE3' ' A' ' 36' ' ' MET . 50.0 tp -65.69 -27.1 68.1 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 123.872 0.732 . . . . 0.0 111.59 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.555 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 29.5 ttt-85 -62.91 -44.36 96.29 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.45 0.7 . . . . 0.0 110.52 178.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -75.0 -32.79 61.73 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.814 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.455 HG21 ' O ' ' A' ' 31' ' ' GLU . 66.8 t -68.0 -41.5 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 123.093 0.246 . . . . 0.0 110.868 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.459 ' HE3' HD12 ' A' ' 32' ' ' LEU . 22.8 mmt -65.61 -40.0 92.13 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.79 0.329 . . . . 0.0 111.72 178.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 39.8 m -66.57 -35.74 80.95 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.061 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -68.84 -39.94 79.68 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.716 0.807 . . . . 0.0 111.849 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.489 ' HB2' ' HG2' ' A' ' 41' ' ' GLU . 89.8 mt -74.48 -21.21 59.69 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.922 -179.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.9 18.87 42.12 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.596 -0.602 . . . . 0.0 111.596 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.489 ' HG2' ' HB2' ' A' ' 39' ' ' LEU . 8.5 mm-40 -78.38 -36.82 45.41 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 175.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.3 tttp 58.6 78.8 0.24 Allowed 'General case' 0 C--N 1.349 0.583 0 O-C-N 125.306 1.629 . . . . 0.0 111.156 174.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.47 ' HG ' ' HB2' ' A' ' 47' ' ' GLU . 3.9 tp -109.33 141.47 41.62 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.466 -175.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.2 p -77.25 169.15 18.84 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.175 0.297 . . . . 0.0 110.575 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.448 ' HB2' HH21 ' A' ' 33' ' ' ARG . 35.6 t70 -62.95 -32.72 74.09 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 123.285 0.365 . . . . 0.0 111.167 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.534 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 42.6 mt-10 -67.24 -49.81 63.05 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.315 176.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.47 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 51.0 mt-10 -68.35 -32.49 72.63 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -175.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.487 HG22 ' HA ' ' A' ' 33' ' ' ARG . 79.9 t -67.51 -41.72 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 175.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.473 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 37.0 t70 -60.44 -40.32 90.67 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.719 0.637 . . . . 0.0 111.685 179.041 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 34.2 mt-10 -66.95 -35.05 79.11 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.655 0.597 . . . . 0.0 111.368 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 87.8 mmm -74.32 -30.86 62.23 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 123.395 0.434 . . . . 0.0 111.85 178.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.4 mm -66.65 -52.25 47.69 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.953 0 O-C-N 123.423 0.452 . . . . 0.0 110.59 174.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 49' ' ' ASP . 2.6 ptt180 -71.11 -21.74 62.17 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -177.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -81.09 -26.55 36.14 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.07 0.462 . . . . 0.0 110.751 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.53 -17.56 26.81 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 122.139 -0.351 . . . . 0.0 111.204 175.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -88.92 119.54 29.53 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.243 0.544 . . . . 0.0 110.545 -176.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 79.2 mt -79.92 -46.06 22.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.617 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -88.71 -12.44 42.32 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -166.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.84 53.33 11.69 Favored Glycine 0 CA--C 1.535 1.298 0 N-CA-C 114.439 0.536 . . . . 0.0 114.439 -177.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.4 p30 -109.73 -15.53 14.12 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 117.493 0.647 . . . . 0.0 111.72 174.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.18 -2.93 59.79 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.538 -0.59 . . . . 0.0 113.983 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -138.01 131.85 31.33 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-O 122.25 1.024 . . . . 0.0 110.559 177.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 26.1 t -91.5 103.23 14.3 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.318 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.009 -169.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -79.3 179.58 7.32 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.718 -178.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -50.18 -51.94 39.68 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -175.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.01 -27.01 61.53 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -176.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -69.35 -39.12 78.32 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 122.856 0.462 . . . . 0.0 110.996 177.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -73.09 -34.89 66.46 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.224 177.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.504 ' HA ' HG22 ' A' ' 12' ' ' ILE . 24.1 t -64.77 -41.77 93.12 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.561 0 O-C-N 123.482 0.488 . . . . 0.0 111.027 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -68.36 -27.96 66.71 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -83.01 -23.29 33.34 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 120.669 0.271 . . . . 0.0 110.85 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.46 ' HB3' HD13 ' A' ' 12' ' ' ILE . 75.7 mmm -92.63 -48.09 6.77 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -176.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.9 p . . . . . 0 N--CA 1.467 0.41 0 C-N-CA 122.332 0.253 . . . . 0.0 111.613 -175.559 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.2 m . . . . . 0 CA--C 1.537 0.455 0 CA-C-O 120.852 0.358 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 10.6 pt-20 -59.95 -16.47 30.28 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -177.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -68.69 -36.93 79.14 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.312 1.045 . . . . 0.0 112.301 -177.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -84.83 -23.12 29.2 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.88 0.371 . . . . 0.0 110.265 174.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.488 HG22 ' HA ' ' A' ' 69' ' ' VAL . 19.6 mm -70.57 -22.44 23.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.08 176.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 95.5 mtt-85 -58.66 -46.69 86.62 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.116 0.566 . . . . 0.0 111.156 171.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -76.46 -36.39 57.91 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.868 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.406 ' O ' ' HD1' ' A' ' 19' ' ' PHE . . . -64.21 -33.55 76.07 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 122.964 0.506 . . . . 0.0 111.585 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -65.54 -31.89 73.2 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.086 0.554 . . . . 0.0 111.508 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.4 mmm180 -72.74 -30.38 64.11 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.654 -177.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -79.49 -30.79 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 O-C-N 123.143 0.277 . . . . 0.0 110.495 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.406 ' HD1' ' O ' ' A' ' 15' ' ' ALA . 30.6 m-85 -83.64 -25.11 31.05 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.756 -177.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -89.23 110.75 21.47 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 174.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.542 ' HE2' ' HA ' ' A' ' 21' ' ' LYS . 10.7 mmpt? -73.3 -22.39 60.36 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -175.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -112.79 -11.52 13.47 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.619 0.599 . . . . 0.0 112.619 -176.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.45 21.79 68.89 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-O 118.848 -0.974 . . . . 0.0 115.44 176.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -90.13 -18.75 25.24 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.273 1.536 . . . . 0.0 113.914 -173.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.78 13.2 26.26 Favored Glycine 0 CA--C 1.523 0.533 0 C-N-CA 120.445 -0.883 . . . . 0.0 113.255 -178.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 1.631 ' HD2' ' CD1' ' A' ' 26' ' ' TYR . 48.6 m-85 -137.69 130.81 30.49 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 175.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 55.5 mt -101.21 107.33 21.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 174.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.5 m -83.58 176.08 9.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.696 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.515 ' O ' ' HB2' ' A' ' 33' ' ' ARG . . . -65.98 -36.67 83.95 Favored 'General case' 0 C--O 1.212 -0.879 0 O-C-N 123.188 0.305 . . . . 0.0 111.458 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.05 -32.64 70.85 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 123.294 0.371 . . . . 0.0 111.889 178.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.444 ' O ' HG21 ' A' ' 35' ' ' VAL . 49.4 mt-10 -70.74 -52.74 18.88 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.572 -178.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.6 tp -66.3 -30.86 71.36 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.876 0.735 . . . . 0.0 111.123 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.515 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 33.0 ttm180 -58.39 -47.04 85.17 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.347 1.059 . . . . 0.0 111.558 176.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -70.76 -33.57 70.92 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.486 -177.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.498 HG23 ' HE3' ' A' ' 21' ' ' LYS . 23.3 t -66.87 -43.72 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 123.244 0.34 . . . . 0.0 110.547 176.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.6 mmt -64.09 -37.86 88.97 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.867 0.467 . . . . 0.0 111.806 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 54.6 m -66.06 -38.44 88.36 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.012 176.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -71.29 -34.92 71.07 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.425 0.69 . . . . 0.0 112.187 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 95.8 mt -72.53 -27.43 62.23 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 122.685 0.394 . . . . 0.0 111.794 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.5 10.41 44.37 Favored Glycine 0 C--N 1.335 0.483 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 -174.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -76.09 -24.76 55.04 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 123.636 0.774 . . . . 0.0 111.313 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.1 pttt 45.38 53.18 8.43 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 126.05 1.74 . . . . 0.0 113.636 177.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 mp -81.78 130.67 35.14 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.336 178.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.26 176.49 7.34 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.247 179.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.14 -39.54 93.15 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 122.22 -0.3 . . . . 0.0 111.7 -177.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -70.59 -32.87 70.41 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.366 0.416 . . . . 0.0 111.557 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -70.0 -44.43 69.36 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.38 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.515 HG22 ' HA ' ' A' ' 33' ' ' ARG . 60.4 t -69.44 -33.49 57.62 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.608 0 O-C-N 123.515 0.51 . . . . 0.0 110.374 177.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.458 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 23.8 t70 -58.66 -46.77 86.45 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 122.935 0.494 . . . . 0.0 111.645 177.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -71.44 -27.23 63.13 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 123.378 0.424 . . . . 0.0 112.058 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.1 mmt -79.42 -27.45 41.74 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.6 mm -66.71 -50.21 67.88 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.845 0 O-C-N 123.623 0.577 . . . . 0.0 109.991 174.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 49' ' ' ASP . 8.5 ptt180 -73.03 -21.87 60.73 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -72.16 -32.39 66.82 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 120.974 0.416 . . . . 0.0 110.646 173.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.75 -21.06 24.01 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.798 178.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -92.44 121.92 34.38 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.553 -173.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 60.4 mt -79.39 -46.55 23.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.756 -176.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -88.56 -11.49 45.48 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -169.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.09 42.86 57.99 Favored Glycine 0 CA--C 1.538 1.497 0 N-CA-C 115.182 0.833 . . . . 0.0 115.182 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 45.6 p30 -99.79 -16.12 18.2 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 117.66 0.73 . . . . 0.0 112.155 178.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.57 -6.06 67.6 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-O 119.752 -0.471 . . . . 0.0 113.883 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.535 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 11.1 mt-30 -128.68 131.09 47.98 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 121.552 0.691 . . . . 0.0 109.872 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.8 t -96.97 109.76 23.71 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.182 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.59 -170.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -65.25 -179.3 0.57 Allowed 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.508 0.671 . . . . 0.0 112.086 177.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -62.71 -45.81 91.02 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.882 167.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -60.87 -38.1 84.44 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.413 0.685 . . . . 0.0 112.76 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -76.25 -32.75 59.04 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 122.899 0.479 . . . . 0.0 111.767 -177.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -71.99 -42.18 66.78 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.514 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.488 ' HA ' HG22 ' A' ' 12' ' ' ILE . 72.3 t -62.53 -39.22 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 O-C-N 123.531 0.519 . . . . 0.0 111.134 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -67.34 -31.6 71.98 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -81.57 -26.49 34.95 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 122.977 0.173 . . . . 0.0 111.294 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 70.9 mmm -83.38 -27.99 29.26 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -178.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.0 p . . . . . 0 CA--C 1.529 0.168 0 N-CA-C 111.582 0.215 . . . . 0.0 111.582 -179.798 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.448 -0.544 0 CA-C-O 121.367 0.604 . . . . 0.0 111.628 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 8.0 mp0 -71.2 -14.24 62.19 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.839 -171.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.479 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 3.4 mp0 -79.25 -27.17 42.37 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 122.546 0.339 . . . . 0.0 111.341 -177.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -83.31 -25.96 31.04 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 172.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.519 HG22 ' HA ' ' A' ' 69' ' ' VAL . 39.0 mm -68.49 -30.74 48.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 172.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.479 ' HD2' ' HA ' ' A' ' 10' ' ' GLU . 94.0 mtt180 -65.93 -38.89 89.83 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.216 0.606 . . . . 0.0 111.187 171.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -72.74 -34.53 67.11 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.782 0.676 . . . . 0.0 110.862 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.26 -37.23 83.15 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 122.845 0.458 . . . . 0.0 110.449 174.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -64.46 -27.22 68.84 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.528 0.731 . . . . 0.0 110.94 177.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -73.53 -25.85 60.6 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 t -82.16 -42.05 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 176.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 1.662 ' HD2' ' CD1' ' A' ' 19' ' ' PHE . 38.0 m-85 -73.13 -32.54 64.97 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.763 -1.108 . . . . 0.0 112.092 -174.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -91.85 102.85 15.44 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.09 0.471 . . . . 0.0 109.752 175.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.442 ' HE2' HG23 ' A' ' 35' ' ' VAL . 73.4 mmtt -77.67 -29.7 51.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.304 -0.862 . . . . 0.0 113.032 -178.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -96.49 -12.02 24.73 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -173.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.5 27.69 67.11 Favored Glycine 0 CA--C 1.536 1.393 0 N-CA-C 115.41 0.924 . . . . 0.0 115.41 177.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -92.99 -16.14 25.42 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 118.866 1.333 . . . . 0.0 113.045 -175.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.14 13.38 49.32 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.953 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 1.651 ' HE1' ' CE2' ' A' ' 26' ' ' TYR . 97.6 m-85 -138.75 130.4 27.58 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.795 0.838 . . . . 0.0 109.376 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.511 ' HB ' ' HB ' ' A' ' 63' ' ' VAL . 65.3 mt -99.16 110.53 26.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.0 p -89.61 171.64 9.53 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.127 176.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.542 ' O ' ' HB2' ' A' ' 33' ' ' ARG . . . -71.04 -22.4 62.14 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.542 178.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.94 -35.56 72.27 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 122.427 0.291 . . . . 0.0 111.636 176.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.431 ' O ' HG21 ' A' ' 35' ' ' VAL . 43.3 mt-10 -74.16 -51.18 16.35 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.663 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.8 tp -63.06 -30.23 71.43 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 124.106 0.878 . . . . 0.0 111.746 -178.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.542 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 20.8 ttt-85 -62.46 -43.95 97.58 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.725 0.81 . . . . 0.0 110.974 176.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -73.38 -34.5 65.59 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.206 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.442 HG23 ' HE2' ' A' ' 21' ' ' LYS . 96.5 t -69.25 -45.95 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 123.347 0.404 . . . . 0.0 110.792 -177.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.53 ' HA ' ' HE3' ' A' ' 36' ' ' MET . 30.3 mmt -61.31 -45.14 95.71 Favored 'General case' 0 C--O 1.223 -0.341 0 O-C-N 123.313 0.383 . . . . 0.0 111.738 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 m -70.16 -29.56 66.49 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -74.58 -42.51 58.59 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.003 0.521 . . . . 0.0 111.527 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.2 mp -73.77 -15.01 61.21 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -178.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.48 5.81 42.13 Favored Glycine 0 C--N 1.337 0.603 0 C-N-CA 121.296 -0.478 . . . . 0.0 113.171 176.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -76.38 -42.78 43.31 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 122.712 0.405 . . . . 0.0 110.066 178.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt 54.3 69.54 0.71 Allowed 'General case' 0 N--CA 1.473 0.692 0 O-C-N 124.803 1.314 . . . . 0.0 111.607 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.0 tp -89.51 143.9 26.45 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.757 -173.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.03 158.53 35.5 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.475 0.485 . . . . 0.0 110.569 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -55.31 -47.67 75.26 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.324 1.05 . . . . 0.0 113.009 -177.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -72.1 -27.08 62.42 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 178.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -72.07 -35.49 69.28 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 123.258 0.349 . . . . 0.0 111.063 176.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 70.6 t -64.06 -39.99 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 123.471 0.708 . . . . 0.0 110.419 174.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -59.91 -39.13 84.37 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.381 0.672 . . . . 0.0 111.154 175.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.513 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 44.8 mt-10 -73.0 -31.21 64.35 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.393 -179.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 72.2 mmm -73.85 -32.23 63.55 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.095 0.158 . . . . 0.0 110.655 175.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.5 mm -68.65 -46.46 79.81 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.631 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.029 175.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.513 ' HG2' ' HA ' ' A' ' 50' ' ' GLU . 17.5 ptm180 -71.88 -24.91 61.74 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -176.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.401 ' HB3' ' CE1' ' A' ' 71' ' ' HIS . 25.5 mt-10 -71.22 -38.35 72.01 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-O 120.791 0.329 . . . . 0.0 111.243 174.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.53 -18.13 36.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.872 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -86.22 115.17 23.6 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.923 0.868 . . . . 0.0 109.271 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.42 HD12 ' HB2' ' A' ' 70' ' ' GLN . 85.3 mt -79.49 -36.34 17.65 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.031 0 CA-C-N 114.207 -1.361 . . . . 0.0 111.059 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -100.28 -12.37 19.56 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 -170.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.15 59.62 5.32 Favored Glycine 0 CA--C 1.54 1.635 0 N-CA-C 114.935 0.734 . . . . 0.0 114.935 -176.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.1 p30 -114.6 -15.52 11.97 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 118.124 0.962 . . . . 0.0 111.949 175.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.96 -10.46 44.39 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 121.701 -0.285 . . . . 0.0 113.304 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -126.57 157.5 38.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 122.153 0.977 . . . . 0.0 110.985 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.511 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 54.0 t -113.68 107.46 22.99 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -173.011 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -76.6 -173.04 2.41 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -178.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -65.72 -50.93 63.04 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.32 177.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -59.11 -34.03 71.54 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.284 1.034 . . . . 0.0 112.448 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -76.46 -36.78 57.69 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.604 -177.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -70.09 -44.83 68.25 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.734 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.519 ' HA ' HG22 ' A' ' 12' ' ' ILE . 55.7 t -63.88 -46.91 92.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 O-C-N 123.886 0.741 . . . . 0.0 111.884 -176.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.42 ' HB2' HD12 ' A' ' 57' ' ' ILE . 17.2 mm100 -68.94 -24.23 64.25 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -176.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.401 ' CE1' ' HB3' ' A' ' 54' ' ' GLU . 84.0 t60 -83.03 -33.66 26.43 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 119.765 -0.159 . . . . 0.0 110.976 175.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 60.4 mmm -76.09 -38.51 56.88 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -175.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.5 p . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -176.084 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.5 m . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -78.04 -25.17 47.67 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.745 0.783 . . . . 0.0 109.915 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.53 ' HA ' ' HG3' ' A' ' 13' ' ' ARG . 46.2 mt-10 -77.83 -21.06 52.08 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.533 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -61.52 -36.04 79.41 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.739 0.781 . . . . 0.0 110.263 167.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.507 HG22 ' HA ' ' A' ' 69' ' ' VAL . 19.2 mm -75.68 -21.84 16.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 114.455 -1.248 . . . . 0.0 111.005 -174.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.53 ' HG3' ' HA ' ' A' ' 10' ' ' GLU . 52.6 mtm180 -57.9 -43.46 86.15 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.474 0.309 . . . . 0.0 111.399 175.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.48 -37.94 77.48 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.75 0.82 . . . . 0.0 111.539 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.521 ' O ' ' HD1' ' A' ' 19' ' ' PHE . . . -66.03 -42.16 89.98 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 123.051 0.219 . . . . 0.0 110.67 175.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -61.84 -30.21 70.69 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.161 0.985 . . . . 0.0 111.399 175.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -74.88 -23.65 58.42 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.17 0.988 . . . . 0.0 111.721 -175.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -75.86 -41.42 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 173.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.521 ' HD1' ' O ' ' A' ' 15' ' ' ALA . 60.9 m-85 -78.21 -33.8 49.72 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 114.64 -1.164 . . . . 0.0 112.115 -170.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -87.5 108.21 18.92 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 173.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.474 ' HE2' HG23 ' A' ' 35' ' ' VAL . 72.3 mmtt -78.58 -25.25 45.24 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.62 0.971 . . . . 0.0 113.62 -176.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -100.99 -11.27 19.82 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -177.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.86 40.94 93.72 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 114.844 0.697 . . . . 0.0 114.844 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -98.84 -18.22 18.03 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 118.492 1.146 . . . . 0.0 112.314 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.66 10.96 34.14 Favored Glycine 0 C--O 1.222 -0.654 0 C-N-CA 120.61 -0.805 . . . . 0.0 113.544 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 1.64 ' HE1' ' CE2' ' A' ' 26' ' ' TYR . 39.4 m-85 -141.46 130.3 23.01 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 117.162 0.481 . . . . 0.0 110.155 174.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.4 mt -100.71 119.47 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.3 p -96.69 178.49 5.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.134 175.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.77 -23.08 60.76 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.891 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.88 -38.01 70.08 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 120.474 0.178 . . . . 0.0 110.922 176.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.442 ' O ' HG21 ' A' ' 35' ' ' VAL . 41.1 mt-10 -70.62 -49.63 45.57 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.957 0.786 . . . . 0.0 111.043 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.404 HD12 ' HE3' ' A' ' 36' ' ' MET . 48.4 tp -66.97 -28.77 68.54 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 123.97 0.794 . . . . 0.0 112.095 -176.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.497 ' HA ' HG22 ' A' ' 48' ' ' VAL . 56.5 ttt-85 -67.88 -37.53 81.9 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.129 0.172 . . . . 0.0 110.889 178.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -69.59 -39.39 77.3 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.088 176.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.474 HG23 ' HE2' ' A' ' 21' ' ' LYS . 43.0 t -68.22 -41.93 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 O-C-N 123.249 0.343 . . . . 0.0 111.355 -178.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.404 ' HE3' HD12 ' A' ' 32' ' ' LEU . 22.8 mmt -62.48 -46.99 85.94 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 122.622 0.369 . . . . 0.0 111.835 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.7 m -72.75 -24.84 61.01 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.584 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -71.03 -45.25 64.23 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 122.876 0.47 . . . . 0.0 110.764 175.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.55 -20.12 60.72 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.424 -175.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.22 18.38 9.25 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.654 -0.784 . . . . 0.0 113.181 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -84.3 -43.58 14.67 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 176.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? 59.43 90.31 0.05 Allowed 'General case' 0 N--CA 1.473 0.69 0 O-C-N 125.301 1.625 . . . . 0.0 109.478 -174.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.473 ' HG ' ' HB2' ' A' ' 47' ' ' GLU . 5.3 tp -124.84 135.89 53.33 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.753 -174.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.1 p -77.41 168.6 19.75 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.428 0.455 . . . . 0.0 110.164 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -63.12 -30.48 71.63 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -177.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 40.2 mt-10 -72.17 -41.83 66.61 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.67 0.606 . . . . 0.0 111.166 177.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.473 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 47.7 mt-10 -71.51 -33.12 68.94 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 123.448 0.468 . . . . 0.0 111.057 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.497 HG22 ' HA ' ' A' ' 33' ' ' ARG . 45.1 t -70.63 -35.27 60.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 123.697 0.799 . . . . 0.0 111.001 175.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -67.1 -31.91 72.71 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 122.61 0.364 . . . . 0.0 111.263 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 7.7 mm-40 -65.67 -35.84 81.93 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.655 0.382 . . . . 0.0 110.711 173.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 94.8 mmm -76.72 -31.56 57.23 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.694 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.2 mm -67.45 -46.08 84.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.82 0 O-C-N 123.581 0.551 . . . . 0.0 110.669 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.9 ptt85 -73.68 -21.0 60.39 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 123.42 0.45 . . . . 0.0 111.971 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -77.05 -31.58 56.28 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 122.819 0.448 . . . . 0.0 110.693 175.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.55 -16.11 29.4 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.938 178.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -87.04 122.53 30.99 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.333 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 74.2 mt -79.88 -34.82 15.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.069 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -104.18 -11.1 17.46 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -171.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.89 41.17 62.73 Favored Glycine 0 CA--C 1.538 1.518 0 CA-C-O 119.162 -0.799 . . . . 0.0 114.964 -177.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.5 p30 -94.46 -16.01 23.74 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 118.367 1.084 . . . . 0.0 112.462 176.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.07 3.7 56.76 Favored Glycine 0 CA--C 1.527 0.824 0 O-C-N 123.214 0.321 . . . . 0.0 113.332 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.408 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 4.1 mt-30 -135.86 137.17 41.19 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.894 0.855 . . . . 0.0 109.784 178.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.8 t -104.92 109.12 26.62 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.693 -175.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.528 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 4.4 p30 -87.38 -175.96 5.45 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.253 177.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -51.54 -53.41 38.13 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 123.906 0.882 . . . . 0.0 113.226 -177.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.55 -28.61 63.98 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -175.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.35 -36.44 76.9 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 123.558 0.536 . . . . 0.0 110.895 175.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -75.99 -40.17 54.3 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.084 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.507 ' HA ' HG22 ' A' ' 12' ' ' ILE . 72.4 t -61.33 -44.04 97.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 122.877 0.471 . . . . 0.0 110.748 177.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -67.79 -20.76 65.24 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -84.04 -28.15 27.84 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 122.164 -0.335 . . . . 0.0 110.649 175.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 79.2 mmm -86.28 -49.08 7.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.549 -175.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.6 p . . . . . 0 CA--C 1.532 0.257 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -173.265 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.512 ' O ' HG12 ' A' ' 12' ' ' ILE . 79.9 p . . . . . 0 CA--C 1.522 -0.106 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.8 -16.4 62.18 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 122.735 0.414 . . . . 0.0 111.422 178.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.526 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 43.3 mt-10 -71.73 -27.56 63.09 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.882 0.473 . . . . 0.0 111.222 174.624 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -85.06 -27.33 26.41 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.048 0.452 . . . . 0.0 110.141 173.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 8' ' ' SER . 31.8 mm -68.93 -21.94 26.0 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.901 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.1 176.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.526 ' HD3' ' HA ' ' A' ' 10' ' ' GLU . 16.2 mtp180 -56.38 -41.63 76.54 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.067 0.547 . . . . 0.0 112.143 168.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -81.37 -35.27 31.02 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.581 0.352 . . . . 0.0 111.16 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.82 -26.52 66.11 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.924 0.392 . . . . 0.0 111.327 177.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -69.87 -32.67 71.16 Favored 'General case' 0 C--O 1.207 -1.162 0 C-N-CA 123.413 0.685 . . . . 0.0 110.218 173.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -80.05 -14.84 58.23 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -177.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.41 -34.36 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 172.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -87.91 -44.57 10.95 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.496 -175.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -84.5 107.09 16.55 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 174.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -78.1 -33.76 50.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.783 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -91.42 -12.32 35.11 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -171.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.14 46.4 94.07 Favored Glycine 0 CA--C 1.529 0.961 0 CA-C-O 119.372 -0.682 . . . . 0.0 114.624 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -99.84 -14.52 18.75 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.142 0.971 . . . . 0.0 111.891 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.466 ' O ' ' HA ' ' A' ' 64' ' ' ASN . . . 100.1 10.58 45.19 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.781 -178.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 1.647 ' HE2' ' CE1' ' A' ' 26' ' ' TYR . 52.5 m-85 -140.66 130.52 24.48 Favored 'General case' 0 CA--C 1.524 -0.033 0 C-N-CA 123.396 0.678 . . . . 0.0 110.419 178.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.4 mt -95.8 107.41 19.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 169.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.7 p -84.26 177.43 8.19 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.354 177.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' ' 33' ' ' ARG . . . -70.61 -21.51 62.64 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.697 178.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.22 -36.19 63.93 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.487 0.184 . . . . 0.0 110.92 175.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -74.22 -44.61 52.52 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.863 -177.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.3 tp -69.61 -31.38 69.48 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.504 0.502 . . . . 0.0 110.902 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.447 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 63.4 ttt-85 -65.82 -34.18 77.57 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.143 0.577 . . . . 0.0 111.165 176.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -78.94 -41.9 28.23 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.031 -175.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.447 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 27.7 m -76.78 -33.73 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -174.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.498 ' HG3' HD23 ' A' ' 43' ' ' LEU . 21.2 mmt -66.85 -50.54 62.18 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 117.866 0.303 . . . . 0.0 110.993 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.7 m -60.47 -32.04 71.02 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 124.209 0.943 . . . . 0.0 111.708 177.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -72.16 -33.8 67.99 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 122.82 0.448 . . . . 0.0 111.775 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 95.3 mt -73.5 -25.29 60.37 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 122.407 0.283 . . . . 0.0 111.746 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.52 -5.31 8.66 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.366 177.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -98.37 132.5 43.79 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -104.6 76.41 1.29 Allowed 'General case' 0 C--N 1.295 -1.783 0 CA-C-O 121.677 0.751 . . . . 0.0 110.758 -170.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.498 HD23 ' HG3' ' A' ' 36' ' ' MET . 4.9 mp -81.93 122.7 28.09 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.085 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.1 p -76.3 177.21 7.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.718 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -65.73 -28.89 69.38 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -71.23 -45.94 62.2 Favored 'General case' 0 C--O 1.223 -0.339 0 O-C-N 123.85 0.719 . . . . 0.0 109.915 175.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.3 -43.0 87.51 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.925 0.765 . . . . 0.0 112.207 -177.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.0 t -64.44 -41.8 93.4 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.448 0 O-C-N 123.855 0.722 . . . . 0.0 110.779 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -58.62 -43.85 89.79 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.235 0.614 . . . . 0.0 112.112 178.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.467 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 47.3 mt-10 -75.2 -29.82 60.44 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.68 -178.338 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 93.0 mmm -73.55 -31.08 63.46 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 121.977 0.111 . . . . 0.0 111.244 175.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 21.2 mm -68.71 -48.87 69.17 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.754 0 O-C-N 123.606 0.566 . . . . 0.0 110.828 175.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.467 ' HG2' ' HA ' ' A' ' 50' ' ' GLU . 14.1 ptp180 -73.16 -25.65 60.89 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -173.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -85.78 -11.05 54.51 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.986 0.422 . . . . 0.0 111.366 177.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.97 -13.64 19.01 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.691 173.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -94.97 121.61 36.76 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.348 -175.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 82.1 mt -79.69 -46.83 22.47 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.554 -175.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -86.12 -11.89 51.45 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -171.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.87 43.75 57.68 Favored Glycine 0 CA--C 1.534 1.249 0 N-CA-C 114.792 0.677 . . . . 0.0 114.792 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 45.4 p30 -99.98 -15.82 18.16 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.032 0.916 . . . . 0.0 111.664 176.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.44 0.86 62.65 Favored Glycine 0 CA--C 1.532 1.131 0 CA-C-O 119.668 -0.518 . . . . 0.0 114.231 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.478 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 23.3 mt-30 -136.07 131.03 34.34 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.049 0.925 . . . . 0.0 109.975 175.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 54.6 t -90.09 109.66 20.93 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.268 -170.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.466 ' HA ' ' O ' ' A' ' 25' ' ' GLY . 50.0 m-80 -64.04 178.79 0.61 Allowed 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.664 0.745 . . . . 0.0 112.329 177.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -58.24 -47.08 84.64 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.033 165.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.519 ' HG3' ' HG3' ' A' ' 67' ' ' GLU . 7.9 pt-20 -58.87 -40.83 85.52 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.38 0.672 . . . . 0.0 112.389 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.519 ' HG3' ' HG3' ' A' ' 66' ' ' GLU . 52.2 mt-10 -76.88 -32.82 57.74 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.062 -174.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -77.11 -30.28 55.17 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-O 118.993 -0.527 . . . . 0.0 110.559 176.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.499 ' HA ' HG22 ' A' ' 12' ' ' ILE . 31.1 t -64.27 -46.84 92.12 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.92 0 CA-C-N 117.984 0.356 . . . . 0.0 110.105 174.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -71.01 -24.65 62.41 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.34 0.59 . . . . 0.0 112.044 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -73.71 -33.03 64.21 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.107 0.963 . . . . 0.0 110.654 173.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 63.5 mmm -91.08 -23.54 20.29 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -175.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.6 p . . . . . 0 C--O 1.235 0.31 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -177.499 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.0 m . . . . . 0 CA--C 1.529 0.135 0 N-CA-C 111.48 0.178 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -63.99 -32.54 74.12 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.332 0.653 . . . . 0.0 111.067 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -72.19 -22.93 61.2 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.855 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -84.69 -24.03 29.12 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 120.631 0.253 . . . . 0.0 110.649 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.55 HG22 ' HA ' ' A' ' 69' ' ' VAL . 18.7 mm -71.0 -22.86 23.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.224 176.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.51 ' HG2' ' CE1' ' A' ' 65' ' ' TYR . 56.4 mtm180 -60.07 -39.96 87.87 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.907 0.483 . . . . 0.0 111.612 177.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -76.56 -39.2 53.49 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.583 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.19 -35.26 79.72 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 123.814 0.696 . . . . 0.0 111.312 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -62.23 -35.24 78.31 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.692 0.797 . . . . 0.0 111.755 177.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 45.7 mtm180 -77.96 -16.84 57.84 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -176.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -85.4 -37.88 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 174.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -74.42 -31.81 62.44 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.656 -176.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -83.34 106.15 14.87 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 172.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.512 ' HE3' ' HD2' ' A' ' 34' ' ' HIS . 3.3 mmmp? -78.12 -21.92 49.63 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -174.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -104.7 -11.19 17.0 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -177.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.54 37.55 78.18 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 114.997 0.759 . . . . 0.0 114.997 177.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -100.81 -10.88 20.33 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 118.6 1.2 . . . . 0.0 112.891 -177.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.65 13.73 46.34 Favored Glycine 0 C--N 1.334 0.42 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.916 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 1.637 ' HE1' ' CE2' ' A' ' 26' ' ' TYR . 69.6 m-85 -142.4 130.15 21.59 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 123.904 0.881 . . . . 0.0 109.816 -178.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 63' ' ' VAL . 69.4 mt -102.23 118.52 49.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.2 p -92.25 177.49 6.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.48 177.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.85 -24.81 62.59 Favored 'General case' 0 C--O 1.208 -1.084 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.856 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.03 -30.46 44.18 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 122.132 -0.355 . . . . 0.0 111.467 177.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -73.39 -44.93 57.53 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 123.217 0.323 . . . . 0.0 111.519 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.9 tp -71.4 -29.82 65.38 Favored 'General case' 0 C--O 1.22 -0.448 0 O-C-N 123.72 0.637 . . . . 0.0 110.521 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.459 ' HA ' HG22 ' A' ' 48' ' ' VAL . 5.5 ttp180 -65.85 -38.16 88.12 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.756 174.187 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.512 ' HD2' ' HE3' ' A' ' 21' ' ' LYS . 46.5 t60 -74.32 -37.31 63.64 Favored 'General case' 0 N--CA 1.438 -1.026 0 O-C-N 123.787 0.679 . . . . 0.0 109.55 -171.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.8 m -76.87 -27.85 16.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.9 mmt -70.54 -40.26 73.52 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 121.132 0.491 . . . . 0.0 110.666 175.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 26.9 m -72.88 -32.59 65.49 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.877 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -67.77 -32.58 73.27 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.874 0.47 . . . . 0.0 112.125 175.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.0 mt -77.36 -8.16 57.24 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 122.647 0.379 . . . . 0.0 111.979 178.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.19 3.47 79.0 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 121.74 -0.267 . . . . 0.0 113.006 177.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -80.9 -37.17 30.15 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 76.7 tttt 62.11 81.64 0.19 Allowed 'General case' 0 C--N 1.349 0.549 0 O-C-N 125.213 1.571 . . . . 0.0 111.362 171.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 tp -98.41 137.96 36.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.025 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -75.71 168.03 20.78 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.16 0.288 . . . . 0.0 111.413 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -59.55 -41.61 90.51 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.51 -173.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 40.2 mt-10 -74.29 -36.13 63.74 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.913 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.04 -37.44 87.59 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.695 0.398 . . . . 0.0 112.013 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.459 HG22 ' HA ' ' A' ' 33' ' ' ARG . 93.3 t -70.73 -32.97 50.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.711 179.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -69.43 -30.74 68.74 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.105 0.162 . . . . 0.0 110.646 176.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 12.7 mm-40 -67.4 -32.89 74.1 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 122.872 0.469 . . . . 0.0 111.14 171.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 99.1 mmm -76.6 -28.25 56.09 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.071 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.8 mm -69.31 -42.4 81.29 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.882 0 O-C-N 123.376 0.422 . . . . 0.0 110.752 176.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.7 ptt85 -73.4 -22.7 60.18 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.233 0.47 . . . . 0.0 112.074 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -82.22 -16.66 48.82 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.074 0.149 . . . . 0.0 111.365 175.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.56 -32.97 11.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.93 0.395 . . . . 0.0 111.26 177.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -83.48 118.86 24.05 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.659 0.742 . . . . 0.0 110.58 -174.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 58.1 mt -79.99 -47.41 21.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 114.056 -1.429 . . . . 0.0 110.785 -178.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -88.22 -12.18 44.53 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -165.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.41 56.61 7.47 Favored Glycine 0 CA--C 1.534 1.27 0 N-CA-C 114.397 0.519 . . . . 0.0 114.397 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.9 p30 -115.34 -15.26 11.58 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 117.551 0.676 . . . . 0.0 112.513 175.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.55 -16.08 56.75 Favored Glycine 0 CA--C 1.534 1.228 0 N-CA-C 114.406 0.522 . . . . 0.0 114.406 -178.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.54 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 13.3 mt-30 -125.91 133.7 51.8 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 122.026 0.917 . . . . 0.0 110.654 -179.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.401 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 61.2 t -97.64 110.32 25.17 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 CA-C-N 113.85 -1.523 . . . . 0.0 108.777 -168.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.5 -173.63 3.44 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.51 ' CE1' ' HG2' ' A' ' 13' ' ' ARG . 35.5 t80 -59.27 -53.02 62.98 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.21 176.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.84 -29.72 70.88 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -76.21 -35.61 58.98 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.023 0.529 . . . . 0.0 111.022 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -72.04 -33.09 67.72 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.948 178.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.55 ' HA ' HG22 ' A' ' 12' ' ' ILE . 80.6 t -67.02 -38.44 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 122.677 0.391 . . . . 0.0 111.007 -178.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -68.13 -33.04 73.75 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -81.05 -20.03 42.53 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.372 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 78.6 mmm -89.4 -26.76 20.84 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.3 p . . . . . 0 C--O 1.233 0.221 0 CA-C-O 120.978 0.418 . . . . 0.0 110.882 178.344 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.451 ' O ' HG12 ' A' ' 12' ' ' ILE . 50.7 m . . . . . 0 CA--C 1.53 0.195 0 CA-C-O 120.482 0.182 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -59.35 -34.3 72.2 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.156 0.982 . . . . 0.0 113.101 -172.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -67.21 -33.02 74.49 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.773 0.829 . . . . 0.0 112.157 177.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -78.14 -28.47 48.44 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.614 0.245 . . . . 0.0 110.636 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.538 HG22 ' HA ' ' A' ' 69' ' ' VAL . 16.5 mm -69.45 -22.18 25.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.642 178.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -58.12 -47.0 84.64 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.758 0.423 . . . . 0.0 111.75 175.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -81.74 -30.56 32.39 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.036 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.01 -29.72 70.66 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 122.656 0.383 . . . . 0.0 111.544 176.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -68.73 -35.23 76.85 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.515 175.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.6 mtt180 -74.3 -18.16 60.75 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -176.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.96 -38.01 35.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 174.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -80.28 -42.55 22.91 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.71 -175.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.91 105.69 13.23 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.349 178.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -78.47 -29.5 46.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.845 -1.07 . . . . 0.0 112.764 -176.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -96.15 -11.7 25.81 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -174.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.89 25.41 75.81 Favored Glycine 0 CA--C 1.535 1.286 0 N-CA-C 115.523 0.969 . . . . 0.0 115.523 177.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -85.21 -16.31 40.72 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 118.734 1.267 . . . . 0.0 112.274 -177.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.91 10.51 52.22 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.856 -0.688 . . . . 0.0 113.113 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.512 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 69.2 m-85 -138.91 129.87 26.49 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.302 0.641 . . . . 0.0 109.934 177.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.9 mt -92.33 109.15 21.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 176.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 76.2 p -82.04 173.32 12.28 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.212 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.69 -26.57 65.36 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.644 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.75 -35.5 72.68 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 122.419 0.288 . . . . 0.0 111.579 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.401 ' O ' HG21 ' A' ' 35' ' ' VAL . 41.6 mt-10 -72.18 -51.74 19.81 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.323 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.5 tp -66.99 -31.38 71.9 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 123.888 0.742 . . . . 0.0 111.614 -176.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.52 ' HA ' HG22 ' A' ' 48' ' ' VAL . 34.0 ttt180 -64.14 -43.65 94.57 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.118 0.567 . . . . 0.0 110.91 177.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -71.32 -35.07 71.11 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.004 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.401 HG21 ' O ' ' A' ' 31' ' ' GLU . 97.1 t -66.74 -45.46 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 122.683 0.393 . . . . 0.0 110.913 177.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.41 ' HB3' ' HB2' ' A' ' 43' ' ' LEU . 23.0 mmt -61.44 -43.98 97.91 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.053 0.541 . . . . 0.0 111.815 178.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 90.3 m -65.64 -39.39 91.39 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.517 177.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -68.34 -36.77 79.74 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.4 0.68 . . . . 0.0 111.946 -177.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.1 mt -80.95 -24.03 38.39 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.0 -177.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.15 24.6 4.13 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.434 174.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -95.57 -33.66 12.31 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 122.481 0.313 . . . . 0.0 110.416 176.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 61.79 32.82 18.06 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 124.711 1.257 . . . . 0.0 112.395 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.41 ' HB2' ' HB3' ' A' ' 36' ' ' MET . 2.4 mp -61.83 124.44 20.76 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 123.505 0.503 . . . . 0.0 110.691 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.1 p -73.05 174.34 8.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.987 -177.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.31 -33.38 75.69 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.106 -177.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.16 -44.5 79.58 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.236 175.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -67.66 -36.7 81.21 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.52 HG22 ' HA ' ' A' ' 33' ' ' ARG . 92.5 t -70.85 -31.12 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.363 178.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.66 -33.75 76.69 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 122.236 0.214 . . . . 0.0 110.863 176.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -69.39 -37.71 77.65 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.122 0.569 . . . . 0.0 111.197 175.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.492 ' HE3' ' HA ' ' A' ' 51' ' ' MET . 2.4 mmt -72.34 -33.75 67.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.712 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.5 mm -70.72 -41.73 77.61 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 O-C-N 123.35 0.406 . . . . 0.0 110.443 176.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -71.92 -22.26 61.5 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -175.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -90.71 -21.14 21.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.733 0.301 . . . . 0.0 111.225 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.79 -19.78 23.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.459 177.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.37 111.6 21.93 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.692 0.758 . . . . 0.0 110.777 -175.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.463 HD12 ' HB2' ' A' ' 70' ' ' GLN . 63.6 mt -79.68 -42.46 22.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.993 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -89.34 -12.07 41.53 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -170.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.53 57.41 8.2 Favored Glycine 0 CA--C 1.536 1.384 0 N-CA-C 114.878 0.711 . . . . 0.0 114.878 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.6 p30 -115.45 -15.99 11.44 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 117.705 0.753 . . . . 0.0 112.267 174.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.5 -6.87 49.93 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 120.83 -0.7 . . . . 0.0 114.651 -178.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.512 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 35.7 mt-30 -138.1 134.02 34.16 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.01 0.905 . . . . 0.0 111.091 177.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.4 t -89.11 105.54 16.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 CA-C-N 114.593 -1.185 . . . . 0.0 110.665 -169.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -83.12 -177.07 6.63 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 121.32 -0.152 . . . . 0.0 110.717 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -50.23 -54.24 22.45 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -176.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.21 -27.89 65.88 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 118.063 0.392 . . . . 0.0 112.011 -175.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -72.97 -34.39 66.44 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.212 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.508 ' HA ' ' HB3' ' A' ' 71' ' ' HIS . 63.6 t80 -83.95 -25.07 30.37 Favored 'General case' 0 C--O 1.209 -1.04 0 C-N-CA 123.544 0.738 . . . . 0.0 111.17 178.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.538 ' HA ' HG22 ' A' ' 12' ' ' ILE . 64.2 t -67.83 -47.77 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-N 118.454 0.57 . . . . 0.0 109.684 172.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.463 ' HB2' HD12 ' A' ' 57' ' ' ILE . 17.2 mm100 -72.4 -21.09 61.32 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 177.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.508 ' HB3' ' HA ' ' A' ' 68' ' ' PHE . 10.6 t-160 -68.25 -50.03 56.7 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.496 0.718 . . . . 0.0 109.291 168.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 57.0 mmm -75.96 -25.56 56.01 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -171.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.3 p . . . . . 0 CA--C 1.533 0.295 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 179.305 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.43 ' O ' HG12 ' A' ' 12' ' ' ILE . 5.6 t . . . . . 0 CA--C 1.543 0.707 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.38 -19.93 62.44 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.284 1.033 . . . . 0.0 113.018 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -70.85 -32.92 70.09 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.908 0.883 . . . . 0.0 111.379 178.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.32 -25.87 31.1 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.073 178.206 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.497 HG22 ' HA ' ' A' ' 69' ' ' VAL . 22.4 mm -66.46 -23.01 30.8 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.089 176.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.499 ' HG2' ' CE1' ' A' ' 65' ' ' TYR . 98.1 mtt180 -64.23 -38.57 91.52 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.828 0.451 . . . . 0.0 111.731 172.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.434 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 38.9 tt0 -80.18 -27.62 38.9 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.299 179.193 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.84 -26.45 60.59 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.006 0.431 . . . . 0.0 110.741 174.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -71.8 -38.92 70.19 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.861 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -75.92 -14.63 60.26 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -177.057 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.0 t -69.98 -49.05 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 170.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 1.639 ' HD1' ' CD2' ' A' ' 19' ' ' PHE . 53.5 m-85 -77.12 -34.77 56.69 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.277 -1.329 . . . . 0.0 111.968 -172.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -84.34 109.2 17.64 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 172.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.503 ' HZ3' ' HB3' ' A' ' 21' ' ' LYS . 4.8 mmmp? -77.64 -27.04 50.91 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -176.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -103.86 -11.8 17.29 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -174.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.36 37.6 79.97 Favored Glycine 0 CA--C 1.531 1.034 0 CA-C-O 118.987 -0.896 . . . . 0.0 114.82 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -96.85 -18.64 19.41 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.809 1.305 . . . . 0.0 112.167 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.61 14.46 19.65 Favored Glycine 0 C--O 1.221 -0.684 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.283 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 1.636 ' HE2' ' CE1' ' A' ' 26' ' ' TYR . 82.9 m-85 -142.3 130.06 21.61 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.546 0.738 . . . . 0.0 110.747 176.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 53.5 mt -97.42 114.63 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 175.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.4 p -90.61 178.49 6.07 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 178.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.442 ' O ' HG13 ' A' ' 48' ' ' VAL . . . -67.27 -27.5 67.25 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.388 177.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.42 -28.97 52.75 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 122.16 -0.338 . . . . 0.0 111.494 177.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.43 -44.33 25.05 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.495 HD21 HG12 ' A' ' 48' ' ' VAL . 38.2 tp -67.36 -35.64 79.77 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.346 0.404 . . . . 0.0 110.481 177.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.4 ttt-85 -59.47 -44.16 93.07 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.579 0.752 . . . . 0.0 111.59 177.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -65.88 -43.9 86.95 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 123.685 0.615 . . . . 0.0 111.394 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.495 HG22 ' HA ' ' A' ' 19' ' ' PHE . 37.0 t -79.76 -31.26 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 O-C-N 123.179 0.299 . . . . 0.0 111.571 -172.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.1 mmt -64.64 -44.01 91.85 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.688 0.28 . . . . 0.0 111.25 173.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 42' ' ' LYS . 62.9 m -65.26 -32.29 73.88 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.153 175.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -69.55 -33.29 72.55 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.306 0.642 . . . . 0.0 111.678 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.8 mt -81.17 -12.4 59.21 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.57 -1.95 53.15 Favored Glycine 0 C--N 1.336 0.558 0 C-N-CA 121.335 -0.459 . . . . 0.0 112.879 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -82.25 -20.78 36.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 119.421 -0.323 . . . . 0.0 111.7 -178.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 37' ' ' THR . 54.8 pttt 38.71 69.66 0.25 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 126.385 1.874 . . . . 0.0 114.356 177.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.464 ' HG ' ' HB2' ' A' ' 47' ' ' GLU . 6.4 tp -85.29 124.78 32.31 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.491 -1.232 . . . . 0.0 109.04 -176.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.4 p -81.11 175.07 10.97 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.263 0.352 . . . . 0.0 110.915 -177.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -56.65 -38.82 72.68 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -173.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -75.27 -36.0 61.26 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 122.578 0.351 . . . . 0.0 111.15 -177.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.464 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 16.7 mm-40 -73.48 -37.64 65.69 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.787 -178.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.495 HG12 HD21 ' A' ' 32' ' ' LEU . 70.3 t -66.41 -39.49 84.2 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.51 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.614 176.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -56.48 -42.02 77.56 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 123.815 0.697 . . . . 0.0 112.235 178.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.401 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 40.8 mt-10 -77.04 -26.67 53.93 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.815 -178.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 97.8 mmm -76.68 -33.2 58.27 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 117.381 0.082 . . . . 0.0 111.048 173.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.7 mm -65.24 -48.1 84.79 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 O-C-N 123.775 0.672 . . . . 0.0 110.658 176.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.401 ' HG2' ' HA ' ' A' ' 50' ' ' GLU . 16.3 ptm180 -71.72 -23.05 61.56 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -176.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -78.85 -31.19 45.53 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.493 0.317 . . . . 0.0 111.402 175.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.52 -18.89 34.27 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.023 0.44 . . . . 0.0 111.591 177.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -90.82 119.47 31.06 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.738 0.78 . . . . 0.0 110.815 -173.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.4 mt -79.81 -45.37 23.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.307 -177.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 p30 -88.76 -11.48 44.89 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -168.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.99 53.91 10.14 Favored Glycine 0 CA--C 1.535 1.338 0 N-CA-C 114.813 0.685 . . . . 0.0 114.813 -178.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.3 p30 -112.9 -16.2 12.75 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 117.717 0.758 . . . . 0.0 112.009 175.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.48 2.28 67.95 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-O 119.698 -0.501 . . . . 0.0 113.961 -178.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -132.25 130.58 41.12 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 117.832 0.816 . . . . 0.0 109.156 174.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.4 t -96.61 105.46 17.12 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.252 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.427 -170.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.9 p30 -77.18 -171.1 1.92 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 121.112 -0.235 . . . . 0.0 111.283 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.499 ' CE1' ' HG2' ' A' ' 13' ' ' ARG . 62.1 t80 -60.6 -50.36 73.82 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.03 -25.22 61.72 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -175.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -75.32 -33.97 61.2 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.987 0.515 . . . . 0.0 110.763 177.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -74.45 -41.85 60.1 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.934 177.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.497 ' HA ' HG22 ' A' ' 12' ' ' ILE . 79.5 t -62.98 -41.74 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 O-C-N 123.674 0.608 . . . . 0.0 110.97 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -66.7 -33.81 76.46 Favored 'General case' 0 C--O 1.22 -0.498 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -71.73 -32.23 67.52 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 123.657 0.598 . . . . 0.0 110.992 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 76.6 mmm -75.94 -28.5 57.97 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 178.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 73.0 p . . . . . 0 CA--C 1.535 0.382 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.542 179.724 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.669 0.271 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -100.26 -53.7 3.06 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 174.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 32.5 ttp -150.25 134.99 17.54 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.489 -177.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -93.55 138.77 31.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.671 170.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -85.38 87.94 7.45 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.052 0.453 . . . . 0.0 110.043 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.443 HG22 HG23 ' A' ' 73' ' ' THR . 20.5 m -79.07 112.4 16.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.143 -176.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -96.13 84.54 3.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.679 -174.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.2 p 53.26 -161.32 0.12 Allowed 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 125.638 1.575 . . . . 0.0 113.003 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -78.81 -14.0 59.5 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 173.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 35.2 mt-10 -71.42 -33.62 69.58 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -175.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -70.48 -30.17 66.9 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 173.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.549 HG23 ' HA ' ' A' ' 69' ' ' VAL . 25.0 mm -79.36 -24.75 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.655 -179.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.418 ' HD2' ' HA ' ' A' ' 10' ' ' GLU . 98.8 mtt180 -67.99 -40.43 83.07 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.1 0.476 . . . . 0.0 110.679 173.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.465 ' HG3' HH21 ' A' ' 17' ' ' ARG . 39.8 tt0 -71.34 -37.33 71.71 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.884 176.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.31 84.86 Favored 'General case' 0 C--O 1.224 -0.28 0 O-C-N 123.116 0.26 . . . . 0.0 111.202 176.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -64.73 -36.1 83.21 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.436 0.694 . . . . 0.0 111.921 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.465 HH21 ' HG3' ' A' ' 14' ' ' GLU . 0.3 OUTLIER -80.16 -15.0 58.02 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -177.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 t -79.54 -49.97 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.716 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 170.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 1.664 ' HD1' ' CD2' ' A' ' 19' ' ' PHE . 31.9 m-85 -67.78 -26.23 66.0 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.204 -1.362 . . . . 0.0 112.354 -173.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -95.15 102.43 14.23 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.503 0.668 . . . . 0.0 109.309 168.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.11 -29.33 48.9 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 -179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -93.93 -12.08 29.57 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -173.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.22 38.68 58.85 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-O 119.223 -0.765 . . . . 0.0 114.897 177.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -101.58 -18.08 16.08 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.744 1.272 . . . . 0.0 112.043 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.19 14.2 42.9 Favored Glycine 0 C--O 1.223 -0.538 0 C-N-CA 121.091 -0.576 . . . . 0.0 113.015 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 1.625 ' HE2' ' CE1' ' A' ' 26' ' ' TYR . 74.8 m-85 -137.75 130.21 29.5 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.638 0.775 . . . . 0.0 109.402 176.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.0 mt -95.15 111.31 25.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.305 0.574 . . . . 0.0 109.587 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.8 m -90.56 174.87 7.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.256 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.08 -28.43 68.18 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.28 -31.43 69.93 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.9 0.381 . . . . 0.0 111.667 177.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -83.74 -43.62 15.29 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.557 -175.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.4 tp -63.89 -39.0 93.17 Favored 'General case' 0 C--O 1.223 -0.325 0 O-C-N 123.652 0.595 . . . . 0.0 110.64 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -61.57 -45.52 93.78 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 123.71 0.804 . . . . 0.0 111.23 176.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -65.42 -42.96 91.96 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 124.068 0.855 . . . . 0.0 111.14 -176.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.519 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 57.9 t -75.13 -29.54 21.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 O-C-N 123.388 0.43 . . . . 0.0 111.481 -176.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.8 mmt -64.94 -38.45 91.0 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 117.691 0.223 . . . . 0.0 110.983 172.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.8 m -69.17 -30.71 68.98 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 123.624 0.578 . . . . 0.0 110.602 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -73.91 -18.48 60.9 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.764 174.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 87.2 mt -88.67 -14.47 37.28 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 120.816 0.341 . . . . 0.0 110.654 175.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.59 -0.5 24.77 Favored Glycine 0 C--N 1.338 0.671 0 CA-C-N 116.136 -0.484 . . . . 0.0 113.468 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -113.5 133.07 55.43 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-O 121.428 0.632 . . . . 0.0 109.936 -174.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -103.94 105.03 15.09 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -175.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 tp -106.29 132.57 52.18 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.667 -174.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.0 p -81.44 175.86 10.19 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.715 -176.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -55.8 -45.19 78.32 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.296 1.038 . . . . 0.0 112.043 -176.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 8.7 mp0 -70.22 -39.02 75.34 Favored 'General case' 0 C--O 1.223 -0.342 0 O-C-N 123.976 0.798 . . . . 0.0 111.586 -177.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -71.58 -37.32 71.03 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.382 0.426 . . . . 0.0 112.072 -176.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.3 t -71.62 -35.77 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.51 -36.46 84.28 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 123.445 0.466 . . . . 0.0 110.987 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 24.0 mm-40 -61.82 -38.72 89.21 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.631 0.582 . . . . 0.0 111.415 173.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 57.2 mtp -77.51 -29.89 52.71 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.152 0.426 . . . . 0.0 112.152 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.3 mm -69.23 -45.66 78.95 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -72.79 -21.75 60.94 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 120.764 0.316 . . . . 0.0 111.455 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.419 ' HG2' ' CE1' ' A' ' 71' ' ' HIS . 28.3 tt0 -74.38 -40.27 62.17 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.889 0.876 . . . . 0.0 110.809 175.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.95 -29.7 21.86 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -174.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -82.2 118.53 23.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.178 0.513 . . . . 0.0 110.481 -174.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.45 HD13 ' HA ' ' A' ' 67' ' ' GLU . 90.5 mt -78.3 -40.3 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.307 -174.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.3 p30 -90.89 -12.24 36.74 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -172.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.73 45.02 55.18 Favored Glycine 0 CA--C 1.539 1.56 0 N-CA-C 114.742 0.657 . . . . 0.0 114.742 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.7 p30 -102.05 -15.13 16.86 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 117.734 0.767 . . . . 0.0 111.156 175.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.45 -6.99 59.55 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-N 116.244 -0.435 . . . . 0.0 113.854 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.536 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 27.6 mt-30 -131.96 131.31 42.51 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-O 121.894 0.854 . . . . 0.0 110.471 178.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.92 101.44 12.11 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.281 -167.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -85.49 -169.85 2.84 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.89 176.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -57.22 -57.41 12.71 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -164.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.74 -34.7 76.28 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -177.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.45 ' HA ' HD13 ' A' ' 57' ' ' ILE . 44.7 mt-10 -69.08 -36.92 78.14 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 123.787 0.835 . . . . 0.0 111.17 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -74.03 -39.59 63.45 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.551 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.549 ' HA ' HG23 ' A' ' 12' ' ' ILE . 74.1 t -66.58 -49.21 76.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-O 119.094 -0.479 . . . . 0.0 111.758 -176.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.449 ' HB2' HD12 ' A' ' 57' ' ' ILE . 78.8 mm-40 -61.34 -36.09 79.22 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.677 0.611 . . . . 0.0 111.847 -177.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.419 ' CE1' ' HG2' ' A' ' 54' ' ' GLU . 61.4 t60 -74.83 -43.15 56.12 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 123.696 0.623 . . . . 0.0 111.22 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 53.4 mmm -67.29 -42.47 83.72 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -176.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.443 HG23 HG22 ' A' ' 6' ' ' THR . 47.5 p -80.36 -28.4 38.02 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -173.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.23 -15.55 37.86 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.9 tttm . . . . . 0 N--CA 1.463 0.221 0 CA-C-O 120.756 0.313 . . . . 0.0 110.371 -177.726 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.473 0.711 0 CA-C-O 121.583 0.706 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 37.1 tp -100.92 112.45 24.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.607 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -150.01 157.81 43.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.092 0.472 . . . . 0.0 111.237 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -107.57 163.01 13.43 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.133 -0.94 . . . . 0.0 108.465 168.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -66.49 -38.52 87.46 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.2 m 66.32 92.24 0.08 Allowed 'General case' 0 N--CA 1.47 0.528 0 O-C-N 124.697 1.248 . . . . 0.0 110.735 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.493 ' H ' ' HB2' ' A' ' 11' ' ' GLU . 19.2 m-20 -113.52 -112.76 0.34 Allowed 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.034 -1.439 . . . . 0.0 110.596 -171.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.46 ' O ' HG12 ' A' ' 12' ' ' ILE . 10.8 p -148.16 -96.22 0.08 Allowed 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 176.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -78.2 -25.04 46.92 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.384 0.674 . . . . 0.0 110.656 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -71.98 -26.14 62.13 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.136 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.493 ' HB2' ' H ' ' A' ' 7' ' ' ASP . 62.9 tt0 -82.95 -23.18 33.55 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.18 176.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.523 HG22 ' HA ' ' A' ' 69' ' ' VAL . 16.9 mm -73.55 -22.71 19.06 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.642 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -60.82 -41.72 96.29 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.811 0.444 . . . . 0.0 111.345 171.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -66.23 -41.29 90.25 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.034 0.934 . . . . 0.0 111.121 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.55 -32.46 68.15 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.413 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -71.46 -41.21 69.7 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 122.965 0.506 . . . . 0.0 111.153 -177.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -74.38 -24.87 59.2 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 123.318 0.386 . . . . 0.0 111.914 -175.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 p -88.22 -20.13 7.48 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 CA-C-O 120.668 0.27 . . . . 0.0 110.726 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -86.4 -35.02 19.99 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.48 176.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -80.36 106.43 12.36 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 173.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' A' ' 21' ' ' LYS . 69.5 mmtt -78.25 -28.45 47.75 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -177.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -96.81 -11.41 24.93 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -174.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.96 46.54 72.51 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 114.778 0.671 . . . . 0.0 114.778 177.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 -103.29 -11.84 17.67 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.327 1.064 . . . . 0.0 111.645 177.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.0 23.26 25.65 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 121.407 -0.425 . . . . 0.0 112.349 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 1.624 ' HE2' ' CE1' ' A' ' 26' ' ' TYR . 65.1 m-85 -148.72 130.51 15.11 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 124.119 0.968 . . . . 0.0 109.56 -177.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.2 mt -101.09 103.2 14.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 173.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.406 ' HB3' ' HG2' ' A' ' 62' ' ' GLN . 73.9 p -81.86 177.46 8.86 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 120.802 0.334 . . . . 0.0 110.711 178.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.531 ' HA ' HG13 ' A' ' 52' ' ' ILE . . . -70.34 -27.44 64.36 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.695 179.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.89 -29.88 63.51 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 120.629 0.252 . . . . 0.0 111.193 176.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -75.57 -45.57 37.04 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.895 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.1 tp -67.51 -32.8 73.86 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 123.377 0.423 . . . . 0.0 110.801 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.512 ' HA ' HG22 ' A' ' 48' ' ' VAL . 68.1 ttt180 -66.22 -36.12 82.21 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.029 0.532 . . . . 0.0 110.612 176.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -72.03 -39.18 69.33 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.572 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 99.6 t -68.38 -36.48 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 122.519 0.327 . . . . 0.0 111.016 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.4 mmt -68.82 -41.1 79.07 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 53.8 m -66.05 -36.76 84.09 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 120.937 0.399 . . . . 0.0 110.516 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -63.86 -44.52 92.85 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.225 1.01 . . . . 0.0 111.984 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -76.71 -4.12 41.63 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.333 0.653 . . . . 0.0 112.582 -176.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.27 -3.36 72.49 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.413 -0.422 . . . . 0.0 112.896 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -71.64 -37.9 70.79 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.097 0.559 . . . . 0.0 110.918 -174.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mttm 58.67 42.14 20.87 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 124.551 1.157 . . . . 0.0 111.516 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.4 tp -69.25 132.33 46.3 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.053 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.4 p -76.93 167.98 20.89 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.656 0.597 . . . . 0.0 111.655 -169.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.48 -36.67 74.1 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.49 0.716 . . . . 0.0 111.703 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 34.5 mt-10 -68.43 -48.56 64.28 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.036 178.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -67.91 -35.23 78.1 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.135 0.574 . . . . 0.0 112.299 -177.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.512 HG22 ' HA ' ' A' ' 33' ' ' ARG . 53.0 t -69.23 -39.77 79.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 122.762 0.425 . . . . 0.0 110.645 177.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -63.7 -34.71 78.47 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 123.438 0.461 . . . . 0.0 110.934 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 14.0 mm-40 -62.53 -41.11 98.65 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.638 0.586 . . . . 0.0 111.226 175.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 97.8 mmm -72.69 -33.83 66.76 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.361 0.413 . . . . 0.0 111.675 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.531 HG13 ' HA ' ' A' ' 29' ' ' ALA . 27.7 mm -68.34 -47.95 75.37 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.13 0 O-C-N 123.537 0.523 . . . . 0.0 110.774 177.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.1 ptt85 -70.95 -21.68 62.3 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -78.72 -33.76 46.49 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.034 0.934 . . . . 0.0 110.915 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.31 -28.66 22.13 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.671 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -83.91 124.58 31.15 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.568 -174.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 79.5 mt -80.2 -43.32 22.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 114.308 -1.315 . . . . 0.0 111.204 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -91.55 -11.43 37.33 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -170.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.52 48.91 33.83 Favored Glycine 0 CA--C 1.535 1.306 0 N-CA-C 114.559 0.584 . . . . 0.0 114.559 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.9 p30 -105.73 -16.01 14.8 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 117.747 0.774 . . . . 0.0 112.406 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.86 -7.8 57.57 Favored Glycine 0 CA--C 1.524 0.628 0 C-N-CA 121.018 -0.61 . . . . 0.0 113.928 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.547 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 32.2 mt-30 -131.22 131.29 43.84 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-O 122.169 0.985 . . . . 0.0 111.06 175.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.2 t -101.6 101.57 12.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 CA-C-N 113.619 -1.628 . . . . 0.0 108.638 -172.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -83.62 -172.0 3.9 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 119.083 -0.484 . . . . 0.0 111.132 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.402 ' O ' HG21 ' A' ' 69' ' ' VAL . 67.7 t80 -55.43 -58.62 6.98 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -165.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 1.6 pm0 -58.98 -40.96 86.38 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.808 0.843 . . . . 0.0 112.645 -178.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.84 -39.0 90.37 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.849 0.86 . . . . 0.0 111.777 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -73.57 -34.12 64.98 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.488 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.523 ' HA ' HG22 ' A' ' 12' ' ' ILE . 69.9 t -65.36 -43.98 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-O 119.212 -0.423 . . . . 0.0 110.641 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 82.1 mm-40 -61.99 -39.47 92.33 Favored 'General case' 0 C--O 1.22 -0.47 0 O-C-N 123.635 0.584 . . . . 0.0 111.908 -174.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -81.06 -31.18 34.57 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 123.211 0.32 . . . . 0.0 111.395 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 51.5 mmm -82.51 -7.91 59.63 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.0 p -117.56 -9.12 10.87 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -115.41 4.52 14.35 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.2 tttt . . . . . 0 N--CA 1.473 0.703 0 O-C-N 124.581 1.176 . . . . 0.0 111.452 179.369 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.2 p . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 110.541 -0.17 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.4 mp -78.43 120.84 23.74 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.139 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -108.7 145.52 34.93 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.007 -175.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -127.26 164.49 21.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.076 173.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -84.87 162.94 19.31 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 121.111 0.481 . . . . 0.0 111.196 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.426 HG21 ' OE1' ' A' ' 11' ' ' GLU . 40.9 p -89.1 94.01 9.79 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.143 -169.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -145.16 -57.44 0.33 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.808 -178.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.459 ' O ' HG12 ' A' ' 12' ' ' ILE . 50.6 m -81.87 157.89 24.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.144 0.497 . . . . 0.0 112.125 -176.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 1.8 mp0 -71.24 -24.13 62.13 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 114.54 -1.209 . . . . 0.0 111.723 -173.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -65.34 -37.43 87.05 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.493 0.717 . . . . 0.0 111.38 174.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.426 ' OE1' HG21 ' A' ' 6' ' ' THR . 13.8 tm-20 -70.75 -35.28 72.58 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 176.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.527 HG22 ' HA ' ' A' ' 69' ' ' VAL . 27.1 mm -68.65 -27.92 38.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.895 -178.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 95.9 mtt180 -68.39 -37.98 80.88 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.733 0.413 . . . . 0.0 111.251 173.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -70.63 -36.69 73.59 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.636 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.32 -42.36 83.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.799 174.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -60.53 -36.87 79.45 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.936 0.894 . . . . 0.0 112.421 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.68 -16.02 58.78 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -175.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -79.67 -44.09 23.26 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 171.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 1.648 ' HD1' ' CD2' ' A' ' 19' ' ' PHE . 41.7 m-85 -72.13 -31.25 65.83 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 114.561 -1.199 . . . . 0.0 112.423 -171.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -92.26 109.29 20.67 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 169.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.476 ' HE2' HG23 ' A' ' 35' ' ' VAL . 55.3 mttm -78.22 -27.0 47.63 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -99.22 -11.63 21.14 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -175.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.6 37.16 84.67 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-O 119.324 -0.709 . . . . 0.0 114.802 176.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -95.42 -18.9 20.33 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.407 1.103 . . . . 0.0 111.525 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 64' ' ' ASN . . . 105.17 6.59 39.15 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.856 -0.688 . . . . 0.0 113.042 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 1.598 ' HD2' ' CD1' ' A' ' 26' ' ' TYR . 73.2 m-85 -136.74 130.6 32.24 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 122.809 0.443 . . . . 0.0 110.326 177.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.4 mt -101.81 104.01 15.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.7 m -79.89 177.31 9.0 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.073 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.95 -25.8 62.89 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -176.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.81 -30.64 35.84 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 122.197 -0.314 . . . . 0.0 111.225 174.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -71.0 -51.15 27.15 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 122.628 0.371 . . . . 0.0 111.532 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.475 HD21 HG11 ' A' ' 48' ' ' VAL . 30.2 tp -62.51 -37.09 84.7 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 124.199 0.937 . . . . 0.0 110.544 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.504 ' HA ' HG22 ' A' ' 48' ' ' VAL . 18.1 ttp85 -61.16 -43.18 99.28 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 124.01 0.819 . . . . 0.0 112.418 176.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.453 ' CD2' ' HE3' ' A' ' 21' ' ' LYS . 2.7 t60 -67.84 -39.8 83.79 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 124.075 0.859 . . . . 0.0 109.94 -175.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.476 HG23 ' HE2' ' A' ' 21' ' ' LYS . 21.6 t -75.07 -33.03 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 O-C-N 123.555 0.534 . . . . 0.0 111.262 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.412 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 21.1 mmt -61.51 -38.6 87.94 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 120.796 0.331 . . . . 0.0 111.091 174.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 90.2 m -65.18 -36.57 84.63 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.453 174.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -72.26 -28.54 63.2 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.041 0.537 . . . . 0.0 111.911 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 61.1 mt -79.36 -6.97 57.97 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.153 0.581 . . . . 0.0 111.435 177.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.56 -2.49 80.56 Favored Glycine 0 C--N 1.336 0.567 0 CA-C-N 116.329 -0.396 . . . . 0.0 112.993 177.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -79.97 -39.49 30.02 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 122.214 0.205 . . . . 0.0 110.736 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 56.94 64.81 1.54 Allowed 'General case' 0 N--CA 1.472 0.651 0 O-C-N 124.928 1.393 . . . . 0.0 112.631 172.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.449 ' HB3' HG21 ' A' ' 48' ' ' VAL . 3.9 mp -80.75 138.43 36.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.765 176.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.4 p -75.33 168.86 19.19 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 123.352 0.407 . . . . 0.0 110.127 177.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -61.5 -34.72 75.97 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -173.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -74.8 -35.32 62.48 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -68.81 -39.98 79.78 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.91 0.386 . . . . 0.0 111.218 176.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' ' 33' ' ' ARG . 89.2 t -67.54 -34.93 71.37 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.39 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.376 176.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -66.66 -28.51 68.52 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 122.489 0.316 . . . . 0.0 111.32 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.66 -39.04 80.83 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.021 0.529 . . . . 0.0 110.925 172.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 98.2 mmm -72.67 -29.65 63.6 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.752 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.7 mm -67.96 -50.6 57.78 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 C-N-CA 123.509 0.724 . . . . 0.0 110.729 176.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.56 -21.53 63.62 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.55 -39.89 44.33 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 120.979 0.419 . . . . 0.0 110.444 175.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.14 -28.84 31.96 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.07 121.88 26.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.331 0.586 . . . . 0.0 111.548 -172.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.474 HD12 ' HG3' ' A' ' 70' ' ' GLN . 83.9 mt -79.79 -47.75 21.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.718 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -89.98 -11.7 40.87 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -167.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.58 54.72 9.65 Favored Glycine 0 CA--C 1.534 1.245 0 N-CA-C 114.596 0.599 . . . . 0.0 114.596 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.3 p30 -111.48 -15.33 13.56 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 117.227 0.513 . . . . 0.0 111.533 173.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.03 6.42 69.37 Favored Glycine 0 CA--C 1.528 0.867 0 CA-C-N 116.026 -0.534 . . . . 0.0 113.585 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -134.36 130.66 37.24 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 176.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.7 t -97.69 110.06 24.71 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.16 -169.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.434 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 28.4 p30 -78.79 -170.68 2.24 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.733 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -60.65 -53.08 61.75 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 8.1 pt-20 -70.93 -30.95 67.41 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -175.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -66.62 -36.6 82.97 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.133 0.573 . . . . 0.0 110.967 176.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -72.12 -39.63 68.72 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.703 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.527 ' HA ' HG22 ' A' ' 12' ' ' ILE . 71.1 t -63.95 -41.27 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 123.579 0.55 . . . . 0.0 111.072 -178.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.474 ' HG3' HD12 ' A' ' 57' ' ' ILE . 86.2 mm-40 -62.61 -38.83 91.73 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -74.95 -33.57 61.95 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 120.665 0.269 . . . . 0.0 111.228 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.489 ' HB3' HD13 ' A' ' 12' ' ' ILE . 78.4 mmm -84.54 -13.07 52.88 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -174.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.5 p -108.16 -34.52 6.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.506 0.193 . . . . 0.0 111.345 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -104.79 107.07 17.83 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.6 tttt . . . . . 0 N--CA 1.472 0.644 0 O-C-N 124.682 1.239 . . . . 0.0 111.392 -177.351 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.1 m . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 tt 67.45 -79.22 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.048 1.739 . . . . 0.0 111.109 -177.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 92.2 mtp -77.6 -55.88 4.99 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 122.776 0.43 . . . . 0.0 111.006 -175.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.5 tptt 57.72 73.67 0.46 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.863 1.352 . . . . 0.0 109.669 -171.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -70.42 133.43 46.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.5 -1.227 . . . . 0.0 109.212 177.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.8 p -81.81 92.37 6.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.128 0.966 . . . . 0.0 109.846 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.443 ' H ' ' HG3' ' A' ' 11' ' ' GLU . 17.3 t70 -65.5 -51.02 63.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.082 -1.417 . . . . 0.0 111.097 -177.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 t -157.37 -168.83 2.71 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -176.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.515 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 15.5 pt-20 -69.56 -21.68 63.61 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 123.418 0.449 . . . . 0.0 110.941 174.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -58.12 -42.02 84.89 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 124.399 1.08 . . . . 0.0 111.76 175.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.443 ' HG3' ' H ' ' A' ' 7' ' ' ASP . 7.1 mm-40 -65.93 -28.95 69.3 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.569 0.748 . . . . 0.0 112.022 177.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.557 HG22 ' HA ' ' A' ' 69' ' ' VAL . 17.1 mm -85.14 -22.56 7.51 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.607 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.876 -174.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 18.9 mtp180 -65.4 -39.61 92.41 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.902 0.481 . . . . 0.0 111.258 178.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -79.97 -25.22 40.45 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.068 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.416 ' O ' ' HD1' ' A' ' 19' ' ' PHE . . . -78.81 -30.03 45.14 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 122.165 -0.334 . . . . 0.0 111.043 176.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -65.94 -37.29 85.65 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.792 0.837 . . . . 0.0 111.718 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -76.89 -15.62 59.64 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 -175.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -84.67 -32.82 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 176.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 1.635 ' HD1' ' CD2' ' A' ' 19' ' ' PHE . 37.3 m-85 -82.1 -27.64 32.73 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.513 -177.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -84.66 110.01 18.43 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 170.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.513 ' HE2' ' HA ' ' A' ' 21' ' ' LYS . 5.0 mmpt? -73.82 -24.07 59.75 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -176.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -113.16 -11.76 13.24 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -172.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.25 46.12 58.66 Favored Glycine 0 CA--C 1.533 1.212 0 CA-C-O 119.415 -0.658 . . . . 0.0 114.499 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 -102.9 -13.32 16.99 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 118.318 1.059 . . . . 0.0 112.011 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.63 19.55 26.99 Favored Glycine 0 C--O 1.223 -0.541 0 C-N-CA 121.157 -0.544 . . . . 0.0 112.378 -178.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 1.64 ' HE2' ' CE1' ' A' ' 26' ' ' TYR . 72.3 m-85 -144.7 130.1 18.81 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 123.653 0.781 . . . . 0.0 109.962 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.9 mt -102.34 104.22 16.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 175.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.2 p -85.31 177.28 7.88 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.875 0.369 . . . . 0.0 110.596 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 33' ' ' ARG . . . -72.54 -21.69 61.13 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.865 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.34 -33.9 48.84 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 120.592 0.234 . . . . 0.0 110.598 175.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -73.59 -48.55 31.94 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.126 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.491 HD21 HG11 ' A' ' 48' ' ' VAL . 33.4 tp -66.19 -31.44 72.28 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.796 0.685 . . . . 0.0 110.94 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 7.7 ttp180 -63.91 -44.47 92.85 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.607 0.567 . . . . 0.0 110.559 175.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -69.71 -36.59 76.03 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.244 -176.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.417 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 95.6 t -67.13 -43.99 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 123.428 0.455 . . . . 0.0 110.999 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.505 ' HG3' HD23 ' A' ' 43' ' ' LEU . 25.3 mmt -69.54 -34.07 73.69 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 42' ' ' LYS . 61.8 m -71.62 -33.92 69.38 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.96 176.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -64.65 -35.91 82.56 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.488 0.715 . . . . 0.0 111.205 173.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 82.3 mt -74.91 -6.5 49.52 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.826 177.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.14 1.23 82.11 Favored Glycine 0 C--N 1.34 0.765 0 CA-C-N 116.587 -0.279 . . . . 0.0 112.982 175.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -83.92 -36.63 23.17 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 37' ' ' THR . 1.2 tmtp? 61.38 84.87 0.13 Allowed 'General case' 0 C--N 1.343 0.303 0 O-C-N 125.389 1.681 . . . . 0.0 109.975 177.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.505 HD23 ' HG3' ' A' ' 36' ' ' MET . 1.2 tp -87.36 129.13 35.14 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 174.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.8 p -78.53 170.73 16.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 123.378 0.424 . . . . 0.0 110.688 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.95 -31.09 70.65 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -75.08 -44.99 44.31 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.168 0.587 . . . . 0.0 111.424 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.412 ' HB3' ' HG ' ' A' ' 43' ' ' LEU . 11.8 mm-40 -62.55 -37.29 85.57 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.496 0.719 . . . . 0.0 112.077 177.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.491 HG11 HD21 ' A' ' 32' ' ' LEU . 85.9 t -70.87 -39.51 75.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.51 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.821 177.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -62.12 -38.1 87.65 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 122.795 0.438 . . . . 0.0 111.962 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -67.93 -25.89 65.69 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.047 0.539 . . . . 0.0 112.28 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 96.8 mmm -82.29 -40.12 21.96 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 122.467 0.307 . . . . 0.0 111.189 174.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 24.5 mm -64.31 -43.83 97.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 O-C-N 124.068 0.855 . . . . 0.0 111.325 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.481 ' HG3' ' HG3' ' A' ' 54' ' ' GLU . 25.0 ptt180 -63.46 -31.64 72.86 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 123.423 0.452 . . . . 0.0 112.106 -178.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.481 ' HG3' ' HG3' ' A' ' 53' ' ' ARG . 44.3 mt-10 -94.06 -13.9 26.38 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.007 0.523 . . . . 0.0 111.931 -175.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.92 -29.3 16.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.691 0.281 . . . . 0.0 110.485 174.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.76 114.85 22.36 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.709 -178.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.3 mt -80.2 -48.37 20.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 114.489 -1.232 . . . . 0.0 110.497 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -82.06 -11.94 58.53 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -168.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.92 47.61 38.01 Favored Glycine 0 CA--C 1.532 1.14 0 N-CA-C 115.23 0.852 . . . . 0.0 115.23 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.8 p30 -104.82 -16.4 14.92 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 118.31 1.055 . . . . 0.0 110.943 172.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.07 -6.59 62.0 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 114.516 0.566 . . . . 0.0 114.516 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.417 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 36.1 mt-30 -129.26 131.45 47.01 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-O 121.919 0.866 . . . . 0.0 110.085 177.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 44.7 t -89.73 102.47 13.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 CA-C-N 114.528 -1.214 . . . . 0.0 110.745 -168.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.74 -175.33 5.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.664 177.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.406 ' O ' HG21 ' A' ' 69' ' ' VAL . 62.4 t80 -57.77 -55.63 32.37 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -166.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -59.75 -33.55 71.82 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.792 0.837 . . . . 0.0 112.604 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -71.44 -38.5 71.34 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 123.785 0.834 . . . . 0.0 111.615 -178.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -72.96 -36.38 67.12 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.533 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.557 ' HA ' HG22 ' A' ' 12' ' ' ILE . 92.3 t -63.93 -44.07 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 122.649 0.38 . . . . 0.0 111.119 178.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -64.16 -32.75 74.44 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -80.39 -31.55 37.72 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 120.719 0.295 . . . . 0.0 111.043 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 69.1 mmm -82.59 -24.88 33.71 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -176.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.2 p -91.81 -33.12 15.1 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.456 0.169 . . . . 0.0 111.456 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.21 -86.74 0.23 Allowed 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -178.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.405 ' HE3' ' HB2' ' A' ' 75' ' ' LYS . 42.7 mtmt . . . . . 0 C--N 1.313 -0.984 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.782 -173.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.47 0.572 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 38.5 tp -113.39 -36.43 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 175.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.6 mmt -90.11 -165.15 1.28 Allowed 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.893 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -73.46 -44.01 59.01 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 119.579 -0.248 . . . . 0.0 110.8 175.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 74.93 -23.19 0.24 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 125.637 1.575 . . . . 0.0 113.787 174.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.6 m -73.41 -40.78 64.0 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.759 0.424 . . . . 0.0 110.571 178.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -98.36 25.39 6.32 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.69 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.1 t -88.29 -177.15 5.6 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.427 -177.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 25.9 mt-10 -69.32 -16.29 63.51 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.042 0.937 . . . . 0.0 111.674 -177.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -65.96 -36.99 84.84 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.566 0.746 . . . . 0.0 112.119 175.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -69.17 -34.09 74.41 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.119 0.568 . . . . 0.0 110.325 175.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.528 HG22 ' HA ' ' A' ' 69' ' ' VAL . 14.2 mm -74.77 -22.66 17.38 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 CA-C-N 114.843 -1.071 . . . . 0.0 111.016 -176.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 81.4 mtp180 -63.77 -40.94 97.92 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.85 0.46 . . . . 0.0 111.318 173.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -81.47 -25.98 35.61 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.896 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.65 -24.01 60.99 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.848 0.356 . . . . 0.0 110.823 174.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -70.7 -25.16 62.83 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.59 175.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -78.22 -24.69 46.9 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.243 -177.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -79.25 -38.29 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-O 121.146 0.498 . . . . 0.0 109.768 177.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 1.646 ' HD1' ' CD2' ' A' ' 19' ' ' PHE . 42.6 m-85 -83.96 -30.61 26.1 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.478 -174.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -86.88 109.94 19.65 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 174.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.43 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 29.8 mmtm -77.52 -28.54 52.05 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -178.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -102.13 -11.92 18.46 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -175.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.97 42.61 84.92 Favored Glycine 0 CA--C 1.535 1.294 0 N-CA-C 114.925 0.73 . . . . 0.0 114.925 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -104.01 -13.77 16.19 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 118.438 1.119 . . . . 0.0 113.051 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.71 18.07 24.09 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.274 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 1.617 ' HE2' ' CE1' ' A' ' 26' ' ' TYR . 77.1 m-85 -144.05 130.69 20.13 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 123.75 0.82 . . . . 0.0 109.945 -179.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.9 mt -102.74 104.1 16.04 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 172.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.6 m -80.39 173.86 12.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.078 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.0 -37.06 81.01 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.627 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.47 -29.59 69.74 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -75.55 -49.91 17.22 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 122.648 0.379 . . . . 0.0 111.628 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.402 ' O ' ' HG2' ' A' ' 36' ' ' MET . 23.9 tp -64.41 -37.14 86.48 Favored 'General case' 0 C--O 1.221 -0.44 0 O-C-N 123.919 0.762 . . . . 0.0 110.646 -178.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.7 ttp85 -62.61 -44.25 96.78 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.876 0.735 . . . . 0.0 111.02 177.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -63.44 -41.82 98.67 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 124.596 1.185 . . . . 0.0 109.952 -177.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.33 -46.28 87.46 Favored 'Isoleucine or valine' 0 C--N 1.346 0.414 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.081 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 24.2 mmt -61.1 -39.53 90.33 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -178.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.605 ' HA ' ' HA ' ' A' ' 42' ' ' LYS . 29.1 m -70.24 -30.85 68.02 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 122.894 0.478 . . . . 0.0 111.486 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.42 -28.32 52.58 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 176.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.2 mt -73.87 -17.58 61.03 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.165 0.586 . . . . 0.0 111.407 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.81 -2.74 58.58 Favored Glycine 0 CA--C 1.505 -0.58 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.567 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -72.9 -36.1 67.22 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.605 ' HA ' ' HA ' ' A' ' 37' ' ' THR . 44.8 tttp 54.21 68.51 0.84 Allowed 'General case' 0 C--N 1.352 0.685 0 O-C-N 125.266 1.604 . . . . 0.0 110.634 174.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.453 HD21 HG23 ' A' ' 48' ' ' VAL . 10.7 tp -93.06 130.08 38.79 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 114.998 -1.001 . . . . 0.0 108.72 -175.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.89 163.21 23.55 Favored 'General case' 0 C--O 1.222 -0.371 0 O-C-N 123.492 0.495 . . . . 0.0 110.128 -173.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -50.75 -41.56 56.74 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.136 1.374 . . . . 0.0 114.406 -174.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 44.2 mt-10 -77.25 -29.24 53.92 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -79.47 -30.25 42.03 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.471 0.308 . . . . 0.0 111.296 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.453 HG23 HD21 ' A' ' 43' ' ' LEU . 66.3 t -75.27 -31.41 24.2 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.591 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 173.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -57.5 -40.14 78.02 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.271 0.628 . . . . 0.0 111.126 173.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 59.4 mt-10 -72.76 -38.47 67.34 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.362 176.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.7 mmm -69.24 -26.52 64.83 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.1 mm -69.43 -52.12 35.78 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.099 0 O-C-N 123.793 0.683 . . . . 0.0 110.772 173.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.86 -25.14 55.92 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -173.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.86 -8.78 59.49 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 121.143 0.496 . . . . 0.0 111.111 173.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.72 -15.05 14.85 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.302 0.641 . . . . 0.0 111.382 174.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -99.41 121.73 41.54 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.485 0.66 . . . . 0.0 110.021 -171.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.3 mt -79.49 -42.77 23.25 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.155 -175.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -92.49 -11.71 33.91 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -171.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.32 58.56 7.09 Favored Glycine 0 CA--C 1.535 1.339 0 N-CA-C 114.888 0.715 . . . . 0.0 114.888 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.4 p30 -114.74 -16.47 11.78 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 117.976 0.888 . . . . 0.0 112.625 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.08 -8.07 60.76 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 121.136 -0.554 . . . . 0.0 114.214 -176.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -130.44 131.95 45.47 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 122.224 1.012 . . . . 0.0 110.587 175.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 65.1 t -92.82 109.67 21.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 CA-C-N 114.055 -1.43 . . . . 0.0 108.785 -171.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.52 -174.54 2.09 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.92 -178.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -64.74 -44.52 89.87 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.877 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -61.67 -36.67 81.53 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 122.964 0.505 . . . . 0.0 112.266 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -78.85 -27.12 44.12 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 123.221 0.608 . . . . 0.0 111.592 -177.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.467 ' HA ' ' HD1' ' A' ' 71' ' ' HIS . 66.4 t80 -71.4 -44.0 65.75 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.038 175.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.528 ' HA ' HG22 ' A' ' 12' ' ' ILE . 86.2 t -64.84 -43.76 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 O-C-N 123.787 0.68 . . . . 0.0 111.383 -177.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -67.35 -27.26 66.98 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.467 ' HD1' ' HA ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -88.5 -20.06 25.61 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 120.968 0.413 . . . . 0.0 111.783 179.23 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 42.2 mmm -91.84 -19.33 22.64 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.179 -0.326 . . . . 0.0 111.625 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.5 p -98.57 -31.97 11.68 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.696 176.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -123.07 125.49 45.29 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 171.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.3 mttt . . . . . 0 N--CA 1.479 1.017 0 O-C-N 124.535 1.147 . . . . 0.0 111.079 -179.406 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.5 p . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 121.487 0.66 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.4 HD11 ' HE2' ' A' ' 4' ' ' LYS . 91.3 mt -134.18 160.62 37.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.272 177.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -95.37 24.46 5.08 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.4 ' HE2' HD11 ' A' ' 2' ' ' LEU . 68.6 mttm -64.19 127.26 30.67 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.055 0.542 . . . . 0.0 111.617 177.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -88.41 -71.57 0.58 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 171.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 49.16 103.26 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.511 1.525 . . . . 0.0 113.505 -173.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -103.5 13.31 33.75 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.577 -178.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.8 p -83.48 174.97 10.15 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.095 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 15.7 pt-20 -69.6 -16.64 63.43 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.089 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -64.73 -38.16 90.04 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 123.394 0.678 . . . . 0.0 111.166 176.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -72.11 -30.92 65.55 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.522 176.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.532 HG23 ' HA ' ' A' ' 69' ' ' VAL . 24.6 mm -75.25 -23.93 17.31 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.048 -177.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 79.4 mtm180 -63.33 -41.56 98.91 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 122.503 0.321 . . . . 0.0 111.074 176.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -69.24 -41.74 76.56 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 123.804 0.69 . . . . 0.0 110.669 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.451 ' O ' ' HD1' ' A' ' 19' ' ' PHE . . . -64.4 -33.67 76.41 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 124.041 0.838 . . . . 0.0 111.696 178.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -63.52 -36.09 82.63 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.012 0.525 . . . . 0.0 111.45 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 55.8 mtm180 -77.96 -15.66 58.79 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -176.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -83.32 -37.82 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 173.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.451 ' HD1' ' O ' ' A' ' 15' ' ' ALA . 32.0 m-85 -77.86 -32.21 51.92 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.043 -0.98 . . . . 0.0 112.088 -174.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -89.27 107.25 18.95 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-O 121.405 0.622 . . . . 0.0 109.387 174.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 21' ' ' LYS . 71.8 mmtt -78.39 -33.33 48.91 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -93.84 -11.85 30.27 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -171.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.14 30.98 60.12 Favored Glycine 0 CA--C 1.537 1.452 0 N-CA-C 115.25 0.86 . . . . 0.0 115.25 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -94.94 -15.58 23.49 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 118.776 1.288 . . . . 0.0 112.553 -178.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.34 16.37 40.62 Favored Glycine 0 CA--C 1.522 0.47 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.765 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 1.601 ' HE2' ' CE1' ' A' ' 26' ' ' TYR . 69.4 m-85 -142.78 130.3 21.26 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 123.41 0.684 . . . . 0.0 110.079 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.8 mt -95.68 113.12 29.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 176.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.7 p -91.49 176.72 6.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.29 177.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.0 -28.22 64.27 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 122.7 0.4 . . . . 0.0 111.916 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.54 -32.15 65.87 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.095 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -77.08 -41.55 41.77 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.629 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.49 HD21 HG11 ' A' ' 48' ' ' VAL . 38.2 tp -69.13 -34.53 75.18 Favored 'General case' 0 C--O 1.223 -0.341 0 O-C-N 124.051 0.844 . . . . 0.0 111.103 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -73.13 -37.87 66.48 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.2 t60 -62.23 -50.46 71.65 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.791 0.682 . . . . 0.0 110.82 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.469 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 9.4 p -73.73 -33.08 37.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 O-C-N 123.679 0.612 . . . . 0.0 112.048 -173.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.4 mmt -66.19 -39.54 89.75 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.368 0.531 . . . . 0.0 111.262 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.607 HG21 ' HG2' ' A' ' 42' ' ' LYS . 90.4 m -65.56 -35.92 82.26 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.061 176.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -71.19 -37.39 72.15 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 178.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 87.8 mt -69.81 -28.19 65.51 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.562 0.539 . . . . 0.0 111.818 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.18 3.3 17.53 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.344 178.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -80.52 -50.82 9.52 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 122.537 0.335 . . . . 0.0 110.172 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.607 ' HG2' HG21 ' A' ' 37' ' ' THR . 62.2 mttp 57.86 81.96 0.14 Allowed 'General case' 0 N--CA 1.471 0.588 0 O-C-N 125.224 1.578 . . . . 0.0 111.175 -176.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.408 ' HG ' ' HB2' ' A' ' 47' ' ' GLU . 8.4 tp -97.64 141.8 30.22 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.871 -1.059 . . . . 0.0 108.872 -175.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -77.84 170.42 16.63 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 110.467 -0.198 . . . . 0.0 110.467 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -67.39 -32.27 73.06 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 -177.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -69.54 -39.9 77.2 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.273 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 51' ' ' MET . 51.6 mt-10 -75.92 -35.87 59.6 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.981 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.49 HG11 HD21 ' A' ' 32' ' ' LEU . 45.3 t -66.52 -37.03 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 123.005 0.522 . . . . 0.0 110.481 176.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -57.64 -43.33 84.77 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 123.623 0.577 . . . . 0.0 111.34 173.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.96 -36.65 85.07 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.27 0.628 . . . . 0.0 112.273 178.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 88.9 mmm -77.95 -27.1 49.2 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-O 119.791 -0.147 . . . . 0.0 111.083 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.4 mm -72.52 -44.84 60.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.781 0 C-N-CA 122.955 0.502 . . . . 0.0 110.759 176.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -73.42 -21.93 60.35 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -83.16 -33.35 26.25 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 120.839 0.352 . . . . 0.0 110.162 176.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.47 -32.92 54.7 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.76 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -85.7 109.56 18.7 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 122.089 0.947 . . . . 0.0 110.955 -174.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.5 mt -79.65 -35.92 17.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 114.048 -1.433 . . . . 0.0 111.432 -175.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 p30 -93.38 -11.76 31.5 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -170.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.13 48.75 30.43 Favored Glycine 0 CA--C 1.535 1.316 0 N-CA-C 115.066 0.786 . . . . 0.0 115.066 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 p30 -107.39 -16.01 14.49 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 117.717 0.758 . . . . 0.0 110.837 172.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.9 -11.28 60.7 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-N 116.018 -0.537 . . . . 0.0 113.764 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.563 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 25.0 mt-30 -128.31 131.27 48.65 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.728 0.775 . . . . 0.0 110.793 -178.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.6 t -94.96 108.03 20.29 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.162 -166.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -82.1 -177.62 6.69 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.266 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.45 ' O ' HG21 ' A' ' 69' ' ' VAL . 55.4 t80 -50.23 -53.92 24.75 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -177.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -71.95 -27.79 63.02 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -174.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -70.63 -35.65 73.03 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.196 0.522 . . . . 0.0 110.612 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -73.39 -32.88 64.72 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.043 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.532 ' HA ' HG23 ' A' ' 12' ' ' ILE . 92.4 t -67.52 -38.65 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 122.338 0.255 . . . . 0.0 110.419 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -79.11 -20.2 49.26 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -75.14 -33.42 61.52 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 122.407 -0.183 . . . . 0.0 110.719 168.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.2 mmm -84.94 -50.4 7.53 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -173.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.6 t -106.97 -32.64 7.79 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 119.064 -0.493 . . . . 0.0 112.023 -176.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 62.3 25.4 15.18 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 124.838 1.336 . . . . 0.0 113.237 173.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.0 tttm . . . . . 0 C--O 1.237 0.427 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.671 -168.575 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.484 1.236 0 CA-C-O 121.258 0.551 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.0 mt -107.59 9.62 29.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.462 -176.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 92.2 mmm -84.78 -24.67 28.64 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.4 mttt 79.6 -37.83 0.18 Allowed 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 126.294 1.838 . . . . 0.0 113.067 173.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 63.1 33.85 14.2 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 125.105 1.362 . . . . 0.0 112.245 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m -114.19 26.17 10.5 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.06 93.51 0.09 Allowed 'General case' 0 C--N 1.354 0.795 0 C-N-CA 124.128 0.971 . . . . 0.0 112.459 -170.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.569 ' O ' HG12 ' A' ' 12' ' ' ILE . 17.9 m -169.3 -169.89 1.01 Allowed 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 126.743 2.017 . . . . 0.0 106.346 -178.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -57.0 -32.4 66.08 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.961 0.905 . . . . 0.0 112.699 -176.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -71.84 -31.85 66.94 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -177.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -84.51 -23.17 29.93 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.045 0.45 . . . . 0.0 110.227 177.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.569 HG12 ' O ' ' A' ' 8' ' ' SER . 44.0 mm -67.04 -26.86 37.7 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.07 173.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 74.0 mtt180 -61.9 -35.98 79.95 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.625 0.77 . . . . 0.0 112.558 176.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.65 -42.33 78.11 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 123.111 0.257 . . . . 0.0 110.737 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.65 -32.53 73.9 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.77 0.669 . . . . 0.0 111.534 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -64.32 -37.32 87.08 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.556 0.742 . . . . 0.0 111.564 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 49.0 mtm-85 -67.25 -31.72 72.25 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -178.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -73.12 -36.17 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-O 121.017 0.437 . . . . 0.0 110.027 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 1.621 ' HD1' ' CD2' ' A' ' 19' ' ' PHE . 21.4 m-85 -81.54 -27.48 34.39 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.054 -0.975 . . . . 0.0 112.092 -174.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -90.73 109.73 20.91 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.495 ' HE2' ' HA ' ' A' ' 21' ' ' LYS . 7.1 mmpt? -75.27 -33.56 61.26 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.464 -0.789 . . . . 0.0 113.019 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -100.64 -11.08 20.3 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -169.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.55 45.27 68.16 Favored Glycine 0 CA--C 1.532 1.152 0 N-CA-C 114.543 0.577 . . . . 0.0 114.543 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -106.32 -9.3 16.85 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.239 1.019 . . . . 0.0 112.799 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.07 20.76 37.96 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 121.294 -0.479 . . . . 0.0 112.166 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 1.643 ' HD1' ' CD2' ' A' ' 26' ' ' TYR . 96.8 m-85 -143.41 130.53 20.72 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 123.577 0.751 . . . . 0.0 109.568 -178.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.1 mt -100.77 103.01 14.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 173.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.4 m -81.54 169.39 17.16 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.82 177.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.26 -28.61 65.37 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.86 -28.07 62.3 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.709 0.29 . . . . 0.0 111.471 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -74.88 -50.83 15.62 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.338 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.497 HD21 HG11 ' A' ' 48' ' ' VAL . 38.5 tp -65.31 -33.2 75.42 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.819 0.699 . . . . 0.0 111.253 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.499 ' HA ' HG22 ' A' ' 48' ' ' VAL . 69.2 ttt180 -62.68 -45.03 94.69 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.23 0.612 . . . . 0.0 111.325 176.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -70.24 -42.4 72.28 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 119.106 -0.474 . . . . 0.0 111.426 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.8 t -63.46 -46.61 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 123.633 0.583 . . . . 0.0 111.434 -177.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.7 mmt -64.85 -43.1 94.11 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 58.5 m -67.71 -31.08 70.78 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.406 177.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -73.54 -32.49 64.23 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.035 0.534 . . . . 0.0 111.509 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.4 mt -79.03 -19.85 50.42 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.559 178.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.52 8.66 40.05 Favored Glycine 0 C--N 1.333 0.414 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.748 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -87.51 -24.18 24.17 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 122.378 0.271 . . . . 0.0 110.663 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.489 ' HE3' ' HB2' ' A' ' 42' ' ' LYS . 26.4 mtmt 62.32 41.11 10.6 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 124.64 1.212 . . . . 0.0 112.771 166.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.442 ' HG ' ' CB ' ' A' ' 47' ' ' GLU . 2.6 tp -68.59 117.48 10.38 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.4 p -78.7 177.53 8.57 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.749 -175.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -61.53 -34.74 76.06 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 43.1 mm-40 -66.83 -45.43 78.27 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 123.35 0.406 . . . . 0.0 111.414 175.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.442 ' CB ' ' HG ' ' A' ' 43' ' ' LEU . 59.0 mm-40 -69.32 -40.02 77.86 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.783 0.677 . . . . 0.0 111.885 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 33' ' ' ARG . 84.9 t -70.31 -39.41 76.62 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.181 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.801 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -63.04 -41.08 99.42 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.374 0.421 . . . . 0.0 111.2 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 61.4 mm-40 -62.37 -40.82 97.68 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.756 0.66 . . . . 0.0 111.69 176.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 91.0 mmm -72.05 -37.77 69.61 Favored 'General case' 0 C--O 1.225 -0.235 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.4 mm -69.92 -42.91 79.86 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.886 0 O-C-N 123.545 0.528 . . . . 0.0 110.724 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.6 ptt85 -73.32 -21.25 60.61 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -86.55 -28.3 23.43 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 120.729 0.299 . . . . 0.0 110.578 176.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.0 -29.32 27.07 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -82.49 107.84 15.45 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.089 -176.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.2 mt -77.92 -35.13 20.29 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 CA-C-N 113.999 -1.455 . . . . 0.0 110.961 -176.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -91.5 -11.83 36.33 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -174.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.44 56.52 9.85 Favored Glycine 0 CA--C 1.539 1.563 0 N-CA-C 115.138 0.815 . . . . 0.0 115.138 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.7 p30 -115.23 -16.1 11.56 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 117.672 0.736 . . . . 0.0 112.126 174.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.82 -10.1 60.44 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 121.11 -0.567 . . . . 0.0 114.165 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.521 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 9.5 mt-30 -128.26 131.05 48.76 Favored 'General case' 0 C--O 1.245 0.817 0 CA-C-O 122.075 0.94 . . . . 0.0 110.326 176.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.0 t -92.28 110.69 23.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 CA-C-N 114.055 -1.43 . . . . 0.0 109.033 -168.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.39 -174.82 1.75 Allowed 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.119 0.485 . . . . 0.0 109.783 -177.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -61.46 -49.31 77.3 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.162 174.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 7.5 pt-20 -58.95 -42.12 89.07 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 124.15 0.906 . . . . 0.0 112.615 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -72.04 -34.13 68.54 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 123.23 0.612 . . . . 0.0 112.099 -176.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -71.61 -40.31 69.89 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.495 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.535 ' HA ' HG22 ' A' ' 12' ' ' ILE . 94.9 t -67.67 -40.6 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 O-C-N 123.386 0.429 . . . . 0.0 111.21 -178.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 17.4 mm100 -68.31 -31.4 70.8 Favored 'General case' 0 C--O 1.225 -0.223 0 O-C-N 123.087 0.242 . . . . 0.0 111.332 -178.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -83.18 -23.98 32.66 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.524 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 64.4 mmm -85.17 -27.94 25.81 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.14 -0.35 . . . . 0.0 111.739 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.6 p -87.65 -38.27 16.04 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.525 0.195 . . . . 0.0 111.525 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.08 -12.32 33.38 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt . . . . . 0 N--CA 1.473 0.719 0 O-C-N 124.369 1.043 . . . . 0.0 112.059 173.731 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.4 p . . . . . 0 N--CA 1.473 0.71 0 CA-C-O 121.048 0.451 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.465 HD11 ' HG3' ' A' ' 75' ' ' LYS . 9.2 mp -103.32 135.85 44.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.318 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 57.5 mtt -94.13 -41.2 9.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.369 0.604 . . . . 0.0 109.446 176.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -113.9 138.22 50.62 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.019 -0.992 . . . . 0.0 110.358 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -74.63 136.74 41.97 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.443 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.3 p -97.75 133.23 42.55 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.66 178.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -70.43 -68.84 0.4 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.939 -174.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.438 ' O ' HG12 ' A' ' 12' ' ' ILE . 4.1 t -155.03 -156.16 0.64 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -178.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -69.26 -26.78 64.94 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.279 0.632 . . . . 0.0 111.934 -170.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -68.64 -34.76 76.29 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.311 0.645 . . . . 0.0 112.077 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -70.46 -31.95 69.3 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.235 176.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.536 HG22 ' HA ' ' A' ' 69' ' ' VAL . 25.2 mm -78.33 -26.35 14.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.526 -178.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.542 ' O ' ' HD3' ' A' ' 17' ' ' ARG . 71.6 mtt180 -63.41 -48.45 77.78 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 178.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -75.22 -25.22 57.96 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 117.48 0.127 . . . . 0.0 110.897 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.9 -30.59 66.98 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.643 0.259 . . . . 0.0 111.327 174.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -68.67 -29.98 68.56 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.185 0.594 . . . . 0.0 110.558 174.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.542 ' HD3' ' O ' ' A' ' 13' ' ' ARG . 9.3 mpt_? -75.72 -18.14 59.68 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.257 0.623 . . . . 0.0 112.109 -176.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 t -78.55 -42.89 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 174.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 1.661 ' HD2' ' CD1' ' A' ' 19' ' ' PHE . 43.5 m-85 -80.32 -33.05 37.8 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 114.763 -1.108 . . . . 0.0 112.478 -170.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -90.57 100.61 13.43 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.452 0.644 . . . . 0.0 109.975 177.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.424 ' HE2' HG23 ' A' ' 35' ' ' VAL . 72.6 mmtt -77.69 -33.42 53.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.701 -1.136 . . . . 0.0 113.567 -175.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.4 p30 -87.3 -11.51 49.3 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -173.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.27 43.33 98.65 Favored Glycine 0 CA--C 1.536 1.402 0 N-CA-C 114.71 0.644 . . . . 0.0 114.71 -177.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -104.92 -18.08 14.32 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 117.753 0.776 . . . . 0.0 111.314 177.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.28 6.77 58.65 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 121.299 -0.477 . . . . 0.0 113.907 179.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.534 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 36.1 m-85 -135.17 129.04 33.17 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 117.339 0.569 . . . . 0.0 110.025 176.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.3 mt -97.73 114.25 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 120.954 0.406 . . . . 0.0 110.284 -174.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.0 p -91.51 178.43 5.95 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.858 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.68 -21.59 63.5 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.635 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.54 -42.82 74.1 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 122.716 0.406 . . . . 0.0 111.66 176.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.413 ' O ' HG21 ' A' ' 35' ' ' VAL . 40.9 mt-10 -75.24 -43.55 50.92 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.117 -175.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.7 tp -66.52 -34.82 78.76 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 123.652 0.595 . . . . 0.0 111.374 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -68.86 -39.45 79.89 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.572 177.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -65.12 -39.65 93.37 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 123.51 0.506 . . . . 0.0 111.283 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.518 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 88.0 t -64.41 -49.6 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 O-C-N 123.666 0.604 . . . . 0.0 110.923 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.3 mmt -63.47 -37.16 86.22 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -177.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.603 ' HA ' ' HA ' ' A' ' 42' ' ' LYS . 37.8 m -73.76 -32.32 63.75 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.293 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -70.94 -28.63 64.63 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 122.864 0.466 . . . . 0.0 111.228 176.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 90.2 mt -75.81 -7.16 53.78 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.296 179.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.35 -6.47 68.42 Favored Glycine 0 C--N 1.341 0.824 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -86.37 -25.13 25.5 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 122.65 0.38 . . . . 0.0 111.595 -173.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 37' ' ' THR . 23.8 pttm 40.59 80.88 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 126.304 1.842 . . . . 0.0 114.006 -178.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 tp -82.32 135.83 35.13 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.7 160.62 32.32 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 123.749 0.656 . . . . 0.0 109.805 -177.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -63.55 -35.55 80.86 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.988 0.515 . . . . 0.0 111.858 -176.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.474 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 34.9 tt0 -62.26 -49.75 74.45 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.311 0.644 . . . . 0.0 111.303 173.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 51' ' ' MET . 49.0 mt-10 -60.41 -39.02 85.88 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 124.019 0.824 . . . . 0.0 112.38 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.0 t -69.21 -34.66 64.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 123.339 0.656 . . . . 0.0 111.296 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -67.36 -31.62 71.99 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.156 0.503 . . . . 0.0 111.128 176.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 37.2 mt-10 -74.8 -22.84 58.51 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.222 176.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.46 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 24.8 mmt -82.3 -37.43 25.82 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.452 174.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.8 mm -64.68 -44.3 96.6 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 O-C-N 123.627 0.58 . . . . 0.0 110.846 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -68.96 -21.69 64.16 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -178.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -88.17 -40.15 13.95 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.493 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.57 -22.06 30.2 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -174.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -86.17 126.92 34.59 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.147 0.499 . . . . 0.0 109.751 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.514 HG12 ' HG2' ' A' ' 67' ' ' GLU . 7.6 mm -78.95 -41.63 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.426 -172.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -99.22 -12.19 20.64 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -169.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.55 53.81 11.78 Favored Glycine 0 CA--C 1.539 1.533 0 N-CA-C 114.425 0.53 . . . . 0.0 114.425 -177.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.9 p30 -108.44 -15.08 14.53 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 117.29 0.545 . . . . 0.0 111.892 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.88 -15.83 43.98 Favored Glycine 0 CA--C 1.524 0.637 0 CA-C-O 119.929 -0.373 . . . . 0.0 113.626 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.534 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 26.8 mt-30 -132.97 137.42 46.55 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 123.362 1.553 . . . . 0.0 112.469 179.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.1 t -100.42 105.49 17.74 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 CA-C-N 112.552 -2.113 . . . . 0.0 109.583 -170.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.41 ' HB3' ' CE2' ' A' ' 26' ' ' TYR . 6.8 p30 -85.14 -174.29 5.17 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.85 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -50.23 -53.18 29.97 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -176.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.404 ' HG2' ' OD1' ' A' ' 64' ' ' ASN . 10.5 pt-20 -69.78 -32.18 70.52 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.514 ' HG2' HG12 ' A' ' 57' ' ' ILE . 47.0 mt-10 -69.47 -35.63 75.79 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.31 0.644 . . . . 0.0 111.622 177.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -72.5 -42.46 64.84 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.374 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.536 ' HA ' HG22 ' A' ' 12' ' ' ILE . 70.0 t -61.14 -43.46 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-O 119.003 -0.523 . . . . 0.0 111.239 178.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -57.4 -43.64 83.88 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.655 0.597 . . . . 0.0 112.382 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -69.62 -37.05 76.67 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 123.328 0.393 . . . . 0.0 111.776 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.414 ' HB3' HD13 ' A' ' 12' ' ' ILE . 82.3 mmm -78.37 -36.42 46.06 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -174.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 51.4 p -84.92 -24.74 28.29 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 111.507 0.188 . . . . 0.0 111.507 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.0 -5.75 58.98 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 119.563 -0.256 . . . . 0.0 111.408 173.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.465 ' HG3' HD11 ' A' ' 2' ' ' LEU . 87.4 tttt . . . . . 0 C--N 1.353 0.722 0 O-C-N 124.717 1.26 . . . . 0.0 111.305 175.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 N--CA 1.47 0.554 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 55.1 tp -64.78 114.22 4.32 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 123.856 0.723 . . . . 0.0 109.677 174.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 98.3 mmm -85.48 177.67 7.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.161 175.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -60.22 -78.38 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 O-C-N 123.601 0.563 . . . . 0.0 111.51 -176.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.6 t70 168.36 -65.33 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 106.271 -1.752 . . . . 0.0 106.271 173.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.6 t -121.79 -159.28 0.81 Allowed 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 171.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.6 t70 69.56 31.27 3.74 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 123.039 1.399 . . . . 0.0 110.09 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.2 p -109.86 -167.61 1.22 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.079 -0.964 . . . . 0.0 108.83 174.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 13.1 pt-20 -67.63 -20.91 65.39 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -174.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 43.8 mt-10 -78.91 -25.07 43.75 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.604 0.362 . . . . 0.0 111.766 -178.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -73.55 -32.22 64.06 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 170.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.532 HG22 ' HA ' ' A' ' 69' ' ' VAL . 23.0 mm -73.76 -25.92 21.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.669 178.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 69.1 mtt180 -66.12 -36.55 83.45 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.641 0.376 . . . . 0.0 110.685 174.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -77.38 -39.13 48.31 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.073 177.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.404 ' O ' ' HD1' ' A' ' 19' ' ' PHE . . . -65.1 -31.54 72.8 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.649 0.593 . . . . 0.0 111.336 178.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -65.14 -35.89 82.52 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 123.357 0.663 . . . . 0.0 111.238 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 39.0 mtm180 -76.19 -15.05 60.13 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -179.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -84.51 -42.36 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 172.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.504 ' HA ' HG22 ' A' ' 35' ' ' VAL . 35.8 m-85 -75.05 -34.85 61.9 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.888 -175.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -84.68 109.86 18.33 Favored 'General case' 0 C--O 1.228 -0.073 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 169.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.514 ' HE3' ' HA ' ' A' ' 31' ' ' GLU . 6.4 mtmp? -77.17 -26.63 53.15 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -176.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -104.68 -12.05 16.57 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -173.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.65 40.1 77.36 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-O 119.341 -0.699 . . . . 0.0 114.804 177.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -99.68 -14.13 19.04 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 118.424 1.112 . . . . 0.0 112.625 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.09 13.3 29.4 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.693 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 1.617 ' HD1' ' CD2' ' A' ' 26' ' ' TYR . 96.1 m-85 -143.78 130.56 20.31 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 123.371 0.668 . . . . 0.0 110.58 -175.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.4 ' HB ' ' HB ' ' A' ' 63' ' ' VAL . 60.3 mt -103.14 106.2 19.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 175.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.0 m -83.19 177.25 8.64 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.245 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.34 -52.88 60.17 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 123.53 0.519 . . . . 0.0 111.837 175.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.17 -23.92 67.65 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -177.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.514 ' HA ' ' HE3' ' A' ' 21' ' ' LYS . 49.1 mt-10 -77.34 -51.63 10.52 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 122.289 0.236 . . . . 0.0 111.595 -179.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.4 tp -65.9 -33.68 76.39 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 123.713 0.633 . . . . 0.0 110.932 177.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.92 -51.45 63.72 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.878 1.271 . . . . 0.0 111.798 173.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -68.58 -37.02 79.5 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 123.754 0.659 . . . . 0.0 111.327 -175.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' ' 19' ' ' PHE . 58.8 t -67.25 -41.03 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 O-C-N 123.276 0.36 . . . . 0.0 111.231 -178.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.503 ' HG3' HD23 ' A' ' 43' ' ' LEU . 24.8 mmt -73.49 -25.32 60.4 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.014 0.435 . . . . 0.0 111.742 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.465 ' HA ' ' HA ' ' A' ' 42' ' ' LYS . 67.2 m -74.51 -32.8 62.62 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.83 173.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -66.48 -34.34 77.71 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.313 0.645 . . . . 0.0 111.816 174.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -79.77 2.68 22.03 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.334 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.68 -15.54 58.39 Favored Glycine 0 C--N 1.339 0.708 0 CA-C-N 116.508 -0.314 . . . . 0.0 113.549 170.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -75.5 -33.77 60.78 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -172.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 37' ' ' THR . 43.7 mttp 59.12 77.17 0.32 Allowed 'General case' 0 N--CA 1.48 1.051 0 O-C-N 124.898 1.373 . . . . 0.0 110.88 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.503 HD23 ' HG3' ' A' ' 36' ' ' MET . 3.7 tp -79.22 122.13 25.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.525 -171.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.1 p -79.91 175.98 10.14 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.182 -177.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -62.4 -38.82 91.14 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.908 0.483 . . . . 0.0 111.727 -173.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -67.18 -40.79 86.64 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.861 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -70.51 -42.89 70.69 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.376 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.416 HG23 HD21 ' A' ' 43' ' ' LEU . 97.7 t -65.41 -42.3 93.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 123.298 0.639 . . . . 0.0 111.657 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.17 -36.97 78.77 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 123.812 0.695 . . . . 0.0 111.534 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -75.51 -33.49 60.76 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.176 177.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.429 ' HG3' HD22 ' A' ' 43' ' ' LEU . 25.5 mmt -74.45 -29.73 61.59 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 122.46 0.304 . . . . 0.0 111.483 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.1 mm -65.74 -49.73 75.59 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.088 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.388 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.9 ptp85 -71.55 -21.69 61.86 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -76.25 -35.43 58.97 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.772 0.32 . . . . 0.0 110.608 176.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.71 -22.08 23.54 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -92.29 139.52 30.52 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 122.921 0.488 . . . . 0.0 110.147 -175.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.3 mt -79.91 -55.82 8.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.03 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -86.34 -12.04 50.45 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -167.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.04 50.46 22.9 Favored Glycine 0 CA--C 1.532 1.112 0 N-CA-C 114.559 0.584 . . . . 0.0 114.559 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.9 p30 -105.8 -16.07 14.77 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 117.689 0.745 . . . . 0.0 112.433 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.81 -13.16 50.04 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 120.997 -0.62 . . . . 0.0 113.925 -176.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -125.99 131.73 52.17 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 122.25 1.024 . . . . 0.0 110.845 176.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.4 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 22.6 t -102.84 106.86 20.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 CA-C-N 113.506 -1.679 . . . . 0.0 107.692 -170.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -77.11 -174.21 3.09 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 -176.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.454 ' O ' HG21 ' A' ' 69' ' ' VAL . 52.2 t80 -59.34 -53.58 56.57 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.731 177.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -61.08 -34.78 75.47 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.442 1.097 . . . . 0.0 112.174 -177.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -75.92 -33.53 59.87 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.237 -177.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -71.72 -44.39 64.22 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.702 176.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.532 ' HA ' HG22 ' A' ' 12' ' ' ILE . 58.1 t -62.21 -41.41 91.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 O-C-N 123.581 0.551 . . . . 0.0 111.289 -177.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -39.52 93.7 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-O 118.835 -0.602 . . . . 0.0 112.235 -179.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -69.07 -38.0 78.79 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.397 0.436 . . . . 0.0 111.067 177.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 77.5 mmm -71.23 -23.04 61.93 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.099 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.7 p -105.18 -7.83 18.77 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.39 -33.55 23.74 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 120.935 0.398 . . . . 0.0 110.529 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.2 tttt . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.445 178.455 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.651 0.262 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.5 mp -89.66 71.07 7.83 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.906 0.86 . . . . 0.0 111.474 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 93.0 mtp -125.53 4.46 7.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.748 -1.115 . . . . 0.0 109.416 175.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -123.23 92.94 3.8 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.876 -173.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -124.42 -59.48 1.46 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.591 176.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 53.2 p 51.19 75.6 0.19 Allowed 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 125.933 1.693 . . . . 0.0 113.198 175.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -134.06 -50.6 0.82 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.847 -1.069 . . . . 0.0 111.657 -172.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.481 ' O ' HG12 ' A' ' 12' ' ' ILE . 79.5 p -79.78 165.47 22.74 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.164 -176.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.79 -22.88 61.51 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.693 -175.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -77.34 -25.21 50.89 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.4 177.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -76.79 -25.15 53.02 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.773 171.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.523 HG22 ' HA ' ' A' ' 69' ' ' VAL . 34.1 mm -77.99 -22.21 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.339 176.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.444 ' HG2' ' CE1' ' A' ' 65' ' ' TYR . 99.8 mtt180 -62.8 -36.97 84.9 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.172 0.589 . . . . 0.0 112.06 175.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -71.37 -38.46 71.54 Favored 'General case' 0 C--O 1.223 -0.328 0 O-C-N 123.62 0.575 . . . . 0.0 109.728 178.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.62 -30.78 67.52 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.669 178.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -66.51 -39.07 88.48 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.666 0.786 . . . . 0.0 111.871 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -15.75 60.48 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -177.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.6 t -79.52 -44.22 23.56 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 173.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.466 ' HA ' HG22 ' A' ' 35' ' ' VAL . 28.7 m-85 -73.73 -26.34 60.63 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.839 -1.073 . . . . 0.0 112.031 -174.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -86.63 110.25 19.72 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 168.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.445 ' HE3' ' HA ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -72.04 -18.54 61.94 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.517 1.302 . . . . 0.0 114.517 -175.435 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.15 -10.68 11.46 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -176.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.0 43.69 90.56 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-O 119.551 -0.583 . . . . 0.0 114.2 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -102.05 -17.57 16.0 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.36 1.08 . . . . 0.0 112.25 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.69 2.45 37.21 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 120.947 -0.645 . . . . 0.0 113.448 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 1.593 ' HE2' ' CE1' ' A' ' 26' ' ' TYR . 67.9 m-85 -133.74 130.0 37.47 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 176.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.419 ' HB ' ' HB ' ' A' ' 63' ' ' VAL . 55.6 mt -104.66 114.19 43.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.0 m -95.31 177.66 5.77 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.453 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.59 -31.21 68.11 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 122.817 0.447 . . . . 0.0 111.827 -178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.85 -33.32 74.54 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 122.769 0.428 . . . . 0.0 111.294 175.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.434 ' O ' HG21 ' A' ' 35' ' ' VAL . 50.3 mt-10 -74.23 -46.15 43.54 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.043 178.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.472 HD21 HG11 ' A' ' 48' ' ' VAL . 60.5 tp -66.18 -36.06 82.11 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.833 0.708 . . . . 0.0 111.593 -178.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -68.13 -35.27 77.84 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.297 0.373 . . . . 0.0 110.436 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -70.62 -37.35 73.81 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-O 119.297 -0.382 . . . . 0.0 110.571 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.466 HG22 ' HA ' ' A' ' 19' ' ' PHE . 90.5 t -63.97 -40.26 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.225 0.61 . . . . 0.0 110.843 175.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.4 mmt -60.36 -44.03 95.96 Favored 'General case' 0 C--O 1.222 -0.352 0 O-C-N 123.59 0.556 . . . . 0.0 111.058 175.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.2 m -70.11 -27.22 64.41 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.015 0.526 . . . . 0.0 111.809 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -68.35 -34.14 75.55 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.811 0.444 . . . . 0.0 111.153 174.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -85.76 1.93 47.61 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.491 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.38 19.32 55.27 Favored Glycine 0 C--N 1.339 0.716 0 C-N-CA 121.357 -0.449 . . . . 0.0 113.414 176.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -114.47 159.67 20.08 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -130.55 82.77 2.07 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.171 0.51 . . . . 0.0 110.532 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -78.03 130.77 36.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.29 174.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.0 p -78.11 172.93 12.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.529 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.03 -29.35 70.51 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -66.5 -45.56 79.19 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.768 0.667 . . . . 0.0 111.586 174.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -71.56 -40.91 69.67 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.734 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.472 HG11 HD21 ' A' ' 32' ' ' LEU . 95.1 t -68.89 -37.72 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 O-C-N 123.836 0.71 . . . . 0.0 110.936 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -60.69 -39.65 89.26 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 122.961 0.504 . . . . 0.0 112.114 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.523 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 53.4 mt-10 -74.71 -26.94 60.15 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.365 0.416 . . . . 0.0 111.781 -179.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.3 mmt -72.79 -39.82 66.39 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.31 0.381 . . . . 0.0 110.539 173.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.2 mm -65.95 -46.98 86.87 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.895 0 O-C-N 123.961 0.788 . . . . 0.0 110.932 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.523 ' HG2' ' HA ' ' A' ' 50' ' ' GLU . 28.4 ptt180 -71.14 -21.89 62.13 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -175.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -87.05 -30.27 21.29 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.933 0.397 . . . . 0.0 110.354 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.19 -21.32 31.31 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.676 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.33 114.79 26.93 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.685 0.755 . . . . 0.0 110.638 -177.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.3 mt -79.69 -41.48 21.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 114.284 -1.326 . . . . 0.0 110.87 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -91.69 -11.17 37.67 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.358 0.874 . . . . 0.0 113.358 -171.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.38 49.87 29.7 Favored Glycine 0 CA--C 1.534 1.279 0 N-CA-C 114.951 0.74 . . . . 0.0 114.951 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.2 p30 -108.55 -15.83 14.34 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-N 117.914 0.857 . . . . 0.0 111.968 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.18 -12.99 63.6 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 121.046 -0.597 . . . . 0.0 113.93 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.488 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 33.0 mt-30 -119.46 131.07 55.54 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 117.904 0.852 . . . . 0.0 109.691 177.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.419 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 53.5 t -96.33 109.23 22.49 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 CA-C-N 114.164 -1.38 . . . . 0.0 107.81 -171.292 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.73 -174.85 2.71 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.409 -177.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.444 ' CE1' ' HG2' ' A' ' 13' ' ' ARG . 43.8 t80 -62.08 -51.53 67.56 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.925 176.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -61.81 -36.91 82.52 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.025 0.93 . . . . 0.0 112.749 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -70.6 -37.36 73.86 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 123.734 0.647 . . . . 0.0 111.765 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -69.26 -38.4 78.38 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.622 176.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.523 ' HA ' HG22 ' A' ' 12' ' ' ILE . 46.9 t -64.26 -38.95 83.84 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.55 0 O-C-N 123.835 0.709 . . . . 0.0 111.179 -177.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -69.51 -31.23 69.34 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -178.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -80.61 -20.06 44.05 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.776 177.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.471 ' HB3' HD13 ' A' ' 12' ' ' ILE . 92.8 mmm -92.33 -33.96 14.4 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -178.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.9 p -84.36 -35.44 23.19 Favored 'General case' 0 N--CA 1.463 0.199 0 O-C-N 123.065 0.228 . . . . 0.0 111.33 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -101.66 156.58 17.4 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 173.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt . . . . . 0 CA--C 1.536 0.42 0 CA-C-O 121.392 0.615 . . . . 0.0 111.827 -175.453 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.471 0.602 0 CA-C-O 121.125 0.488 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 53.4 tp -149.49 90.49 1.73 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.459 178.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.9 ttt -124.8 34.46 4.99 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.001 -0.999 . . . . 0.0 108.556 178.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.6 mttp 59.95 55.0 3.98 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.6 1.16 . . . . 0.0 109.958 -172.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -74.92 128.8 36.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 114.658 -1.156 . . . . 0.0 111.821 -170.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.426 ' HB ' ' OE1' ' A' ' 11' ' ' GLU . 28.9 p -99.24 -179.05 4.11 Favored 'General case' 0 C--O 1.245 0.839 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.098 177.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.9 t70 72.71 2.45 4.36 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 125.122 1.369 . . . . 0.0 111.575 -178.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.479 ' O ' HG12 ' A' ' 12' ' ' ILE . 56.1 p -88.62 -172.79 3.88 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.519 -0.738 . . . . 0.0 110.482 176.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 14.7 mp0 -70.42 -20.42 62.92 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 123.521 0.728 . . . . 0.0 111.619 -173.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -64.19 -39.34 93.79 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.54 0.736 . . . . 0.0 111.176 175.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.426 ' OE1' ' HB ' ' A' ' 6' ' ' THR . 38.2 tt0 -75.11 -33.45 61.59 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.333 178.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.545 HG22 ' HA ' ' A' ' 69' ' ' VAL . 12.2 mm -74.96 -22.64 17.11 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.66 -177.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 43.4 mtp-105 -57.77 -56.18 25.31 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 122.705 0.402 . . . . 0.0 111.03 172.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -68.37 -30.91 69.96 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.305 1.003 . . . . 0.0 112.462 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.66 -44.8 77.02 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 117.914 0.325 . . . . 0.0 111.053 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -63.29 -31.98 73.27 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.632 0.773 . . . . 0.0 110.91 174.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -73.86 -24.96 59.82 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.178 -1.374 . . . . 0.0 112.282 -174.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 t -70.72 -46.97 66.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 172.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 1.631 ' HD1' ' CD2' ' A' ' 19' ' ' PHE . 57.9 m-85 -73.18 -36.46 66.58 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.202 -1.363 . . . . 0.0 112.073 -169.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -82.61 108.4 15.97 Favored 'General case' 0 C--N 1.341 0.229 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 173.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -78.4 -34.26 48.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.029 -0.987 . . . . 0.0 112.885 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -97.33 -11.5 23.97 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -170.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.5 46.58 62.0 Favored Glycine 0 CA--C 1.531 1.09 0 CA-C-O 119.579 -0.567 . . . . 0.0 114.454 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -106.03 -4.8 20.07 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.201 1.001 . . . . 0.0 112.186 178.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 64' ' ' ASN . . . 87.28 23.21 41.36 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 121.46 -0.4 . . . . 0.0 112.728 -178.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 1.628 ' HD2' ' CD1' ' A' ' 26' ' ' TYR . 38.6 m-85 -147.44 130.55 16.39 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.706 0.803 . . . . 0.0 110.776 -178.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.9 mt -98.83 104.81 16.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 169.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.4 p -84.03 176.16 9.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.65 0.262 . . . . 0.0 110.462 177.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.41 -26.5 68.01 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.178 -0.464 . . . . 0.0 112.113 174.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.79 -39.73 69.69 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.563 0.22 . . . . 0.0 111.419 176.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -73.11 -44.76 59.87 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.549 -178.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.418 HD21 HG11 ' A' ' 48' ' ' VAL . 33.7 tp -67.96 -34.98 77.6 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 123.855 0.722 . . . . 0.0 111.15 -178.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -65.41 -39.62 92.4 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.156 0.285 . . . . 0.0 110.953 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -63.38 -48.04 79.53 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.279 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.498 HG22 ' HA ' ' A' ' 19' ' ' PHE . 60.6 t -65.89 -42.24 91.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 O-C-N 123.715 0.635 . . . . 0.0 111.248 -176.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.4 mmt -57.31 -48.15 79.67 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.928 0.491 . . . . 0.0 112.218 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.461 HG21 ' HG2' ' A' ' 42' ' ' LYS . 23.3 m -71.71 -30.85 66.1 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.589 -177.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.09 -29.22 61.75 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.028 0.531 . . . . 0.0 112.145 178.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 87.4 mt -87.02 -2.12 58.39 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.89 -0.27 62.55 Favored Glycine 0 C--N 1.338 0.687 0 C-N-CA 121.296 -0.478 . . . . 0.0 113.603 174.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -80.67 -44.31 19.0 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.519 0.327 . . . . 0.0 110.731 -177.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.461 ' HG2' HG21 ' A' ' 37' ' ' THR . 35.7 mtmm 61.67 85.96 0.11 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.154 1.382 . . . . 0.0 112.524 178.431 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.2 mp -101.38 135.89 42.11 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.985 175.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 79.7 p -82.15 178.12 8.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.542 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -59.08 -39.63 82.77 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.247 0.619 . . . . 0.0 112.522 -173.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -77.71 -32.36 52.86 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.777 -177.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -77.52 -32.0 53.77 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 122.564 0.346 . . . . 0.0 111.294 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.418 HG11 HD21 ' A' ' 32' ' ' LEU . 53.1 t -66.97 -37.66 79.82 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.041 173.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.5 -30.22 69.85 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 123.343 0.402 . . . . 0.0 111.45 177.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -64.44 -34.1 77.4 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.928 0.491 . . . . 0.0 111.962 174.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 94.4 mmm -82.62 -31.29 28.9 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.813 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 18.7 mm -65.86 -47.48 85.44 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 O-C-N 123.602 0.563 . . . . 0.0 110.426 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -69.74 -22.86 63.34 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -177.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -82.84 -26.69 31.44 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 121.14 0.495 . . . . 0.0 110.613 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -95.99 -26.54 15.51 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -88.93 121.83 31.69 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.647 0.737 . . . . 0.0 111.087 -174.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 78.6 mt -80.16 -46.52 21.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 114.146 -1.388 . . . . 0.0 111.151 -176.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -88.48 -12.3 43.39 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -169.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.18 49.44 26.86 Favored Glycine 0 CA--C 1.538 1.478 0 N-CA-C 114.989 0.755 . . . . 0.0 114.989 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.3 p30 -106.22 -16.59 14.55 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 118.239 1.019 . . . . 0.0 112.504 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.85 -12.5 49.78 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 121.05 -0.595 . . . . 0.0 113.81 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.549 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 29.8 mt-30 -130.91 131.55 44.55 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 121.959 0.885 . . . . 0.0 111.196 177.017 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.0 t -90.56 112.44 24.96 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 CA-C-N 114.012 -1.449 . . . . 0.0 110.127 -171.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' A' ' 25' ' ' GLY . 48.2 m-80 -65.01 178.55 0.81 Allowed 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.56 0.695 . . . . 0.0 112.212 175.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -64.51 -45.85 85.5 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.94 168.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -56.89 -39.98 75.4 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.426 0.691 . . . . 0.0 112.32 175.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -74.68 -34.55 62.7 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.929 -176.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -75.16 -39.81 60.06 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.892 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.545 ' HA ' HG22 ' A' ' 12' ' ' ILE . 92.0 t -66.31 -38.22 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 119.197 -0.43 . . . . 0.0 110.898 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -65.69 -35.55 81.1 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 177.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -73.99 -32.26 63.33 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 123.142 0.276 . . . . 0.0 111.245 178.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 72.4 mmm -86.13 -19.81 29.59 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -175.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.8 p -93.59 -10.97 32.89 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.137 0.494 . . . . 0.0 110.417 172.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -104.84 -164.17 1.02 Allowed 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.722 172.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.3 tttp . . . . . 0 C--N 1.325 -0.466 0 CA-C-O 120.741 0.305 . . . . 0.0 110.439 -177.667 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.6 t . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 88.8 mt -84.66 -18.23 36.03 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 122.957 0.503 . . . . 0.0 111.856 -178.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 84.3 mmm -97.97 107.16 19.58 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.143 0.497 . . . . 0.0 110.73 176.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.564 ' HG3' ' HB3' ' A' ' 7' ' ' ASP . 1.1 pmtp? -156.13 170.17 22.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.733 -177.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -95.94 -37.44 10.68 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 164.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.6 p -104.15 -112.46 0.24 Allowed 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.797 -174.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.564 ' HB3' ' HG3' ' A' ' 4' ' ' LYS . 25.6 t70 51.54 33.73 11.07 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 125.698 1.599 . . . . 0.0 111.853 -177.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.57 ' O ' HG12 ' A' ' 12' ' ' ILE . 76.7 p -98.93 -169.07 1.72 Allowed 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 171.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -63.6 -27.98 69.61 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -172.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -79.55 -25.97 41.52 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 178.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -81.28 -22.53 38.58 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.203 0.525 . . . . 0.0 109.882 174.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 8' ' ' SER . 50.3 mm -65.36 -28.24 43.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.321 173.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.401 ' O ' ' HG2' ' A' ' 17' ' ' ARG . 69.3 mtp180 -65.27 -37.51 87.43 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 122.785 0.434 . . . . 0.0 111.354 176.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -77.12 -35.42 56.27 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.797 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.07 -23.31 62.11 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.078 174.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -72.39 -27.1 62.15 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.445 175.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 15.1 mmm-85 -79.72 -19.81 47.96 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 111.522 0.193 . . . . 0.0 111.522 -177.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.1 t -74.83 -38.53 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -86.68 -36.02 18.96 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.849 -173.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -92.22 101.19 13.69 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 24.0 mmtp -78.37 -28.95 47.14 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -90.71 -10.91 41.31 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -175.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.15 31.47 72.03 Favored Glycine 0 CA--C 1.533 1.159 0 N-CA-C 115.079 0.792 . . . . 0.0 115.079 176.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -93.02 -18.3 22.85 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 118.54 1.17 . . . . 0.0 112.664 -177.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.27 13.96 37.3 Favored Glycine 0 C--N 1.338 0.657 0 C-N-CA 120.889 -0.672 . . . . 0.0 113.046 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 1.605 ' HE2' ' CE1' ' A' ' 26' ' ' TYR . 70.6 m-85 -142.02 130.23 22.19 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 123.912 0.885 . . . . 0.0 109.543 -179.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.3 mt -101.93 109.53 26.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.3 t -90.6 174.87 7.28 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.666 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.06 -27.96 67.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.109 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.4 -30.48 68.46 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 177.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -81.41 -42.76 19.92 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.986 -177.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.6 tp -65.77 -36.9 84.86 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 123.579 0.549 . . . . 0.0 110.69 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -64.12 -41.39 97.24 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 123.765 0.666 . . . . 0.0 111.056 176.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 50.7 t60 -67.41 -38.55 84.79 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 123.802 0.689 . . . . 0.0 111.298 -178.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.7 t -71.13 -45.26 72.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 O-C-N 123.418 0.449 . . . . 0.0 111.194 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.459 ' HG3' HD23 ' A' ' 43' ' ' LEU . 24.3 mmt -65.42 -40.24 93.11 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -176.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.534 HG21 ' HG3' ' A' ' 42' ' ' LYS . 46.5 m -68.61 -33.07 73.41 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 123.291 0.37 . . . . 0.0 111.303 179.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -72.41 -32.14 66.11 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 122.843 0.457 . . . . 0.0 111.103 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.3 mt -72.39 -12.04 60.94 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 122.926 0.49 . . . . 0.0 111.762 175.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.97 3.35 83.07 Favored Glycine 0 C--N 1.337 0.594 0 C-N-CA 121.727 -0.273 . . . . 0.0 112.574 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -78.38 -40.54 35.89 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 176.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.534 ' HG3' HG21 ' A' ' 37' ' ' THR . 79.9 tttt 56.68 86.81 0.06 Allowed 'General case' 0 C--N 1.346 0.455 0 O-C-N 125.521 1.763 . . . . 0.0 111.657 174.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.459 HD23 ' HG3' ' A' ' 36' ' ' MET . 5.5 tp -90.12 131.16 36.12 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.865 -174.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.9 m -71.0 165.74 22.81 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.479 0.712 . . . . 0.0 110.426 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -51.93 -48.2 64.34 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.224 1.01 . . . . 0.0 112.502 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.565 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 43.3 mp0 -66.79 -43.88 82.76 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 123.94 0.775 . . . . 0.0 110.948 177.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.86 -32.34 73.54 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -174.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.0 t -70.42 -41.92 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 175.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.81 -34.55 78.17 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 123.817 0.698 . . . . 0.0 111.293 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 18.5 mm-40 -62.8 -41.92 99.48 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 123.542 0.526 . . . . 0.0 111.421 175.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 92.5 mmm -78.14 -28.73 48.48 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -177.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.6 mm -64.71 -51.44 67.36 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.87 0 O-C-N 123.496 0.498 . . . . 0.0 109.737 171.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.1 ptt85 -72.17 -22.35 61.3 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -174.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -77.56 -33.92 53.89 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 120.949 0.404 . . . . 0.0 110.582 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.63 -19.84 21.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.159 -177.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -83.98 123.5 30.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.884 -177.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.427 HD12 ' HB2' ' A' ' 70' ' ' GLN . 66.4 mt -79.15 -42.74 23.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.984 -175.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -94.23 -12.24 28.61 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -171.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.11 59.11 6.64 Favored Glycine 0 CA--C 1.534 1.249 0 N-CA-C 114.727 0.651 . . . . 0.0 114.727 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.6 p30 -115.34 -15.72 11.53 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 118.001 0.9 . . . . 0.0 112.224 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.2 -12.5 48.47 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 120.841 -0.695 . . . . 0.0 114.452 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -130.92 135.12 47.38 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 122.404 1.097 . . . . 0.0 110.957 175.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.8 t -94.32 109.82 22.7 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 CA-C-N 113.102 -1.863 . . . . 0.0 107.235 -171.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -73.94 -174.12 1.76 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.906 -177.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.488 ' O ' HG21 ' A' ' 69' ' ' VAL . 77.9 t80 -62.89 -51.17 68.0 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.003 175.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -60.56 -34.53 74.3 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.235 1.014 . . . . 0.0 112.942 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -75.87 -29.31 58.47 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.489 -177.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.544 ' HA ' ' HD1' ' A' ' 71' ' ' HIS . 48.8 t80 -74.96 -40.85 60.53 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.679 174.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.546 ' HA ' HG23 ' A' ' 12' ' ' ILE . 52.4 t -66.6 -46.41 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 119.145 -0.455 . . . . 0.0 111.396 -176.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.427 ' HB2' HD12 ' A' ' 57' ' ' ILE . 75.7 mm-40 -64.45 -36.87 85.58 Favored 'General case' 0 C--O 1.221 -0.423 0 O-C-N 123.405 0.441 . . . . 0.0 112.056 -177.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.544 ' HD1' ' HA ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -77.49 -24.23 50.16 Favored 'General case' 0 CA--C 1.552 1.038 0 O-C-N 123.708 0.63 . . . . 0.0 111.069 -177.219 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 51.1 mmm -92.28 -25.34 18.64 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 123.099 0.56 . . . . 0.0 112.356 -175.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.1 p -89.9 -25.06 21.17 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.833 177.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.12 147.35 32.76 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 120.873 0.368 . . . . 0.0 110.308 174.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.239 -178.248 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.2 mt -74.86 -42.97 56.92 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 176.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.4 ttt 60.66 36.66 19.54 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 124.825 1.328 . . . . 0.0 111.091 174.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? 64.94 99.29 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.183 1.393 . . . . 0.0 112.099 -175.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -70.52 143.5 51.64 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 114.213 -1.358 . . . . 0.0 111.285 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 p -102.74 107.82 18.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.301 177.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -128.33 15.44 6.65 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.838 174.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.464 ' O ' HG12 ' A' ' 12' ' ' ILE . 22.4 m -79.78 -179.76 7.1 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.27 -178.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -18.18 63.97 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.934 0.494 . . . . 0.0 111.542 177.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.51 ' HA ' HH11 ' A' ' 13' ' ' ARG . 10.1 tp10 -63.3 -37.33 86.82 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.168 0.987 . . . . 0.0 111.083 172.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -79.87 -30.33 40.22 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.221 178.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.504 HG22 ' HA ' ' A' ' 69' ' ' VAL . 18.3 mm -72.05 -22.41 21.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.254 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.51 HH11 ' HA ' ' A' ' 10' ' ' GLU . 63.1 mtt85 -58.44 -48.37 80.93 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 173.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -81.67 -26.27 34.86 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.752 0.31 . . . . 0.0 111.2 -178.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.432 ' O ' ' HD1' ' A' ' 19' ' ' PHE . . . -70.61 -30.5 67.18 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.021 174.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -70.54 -35.31 73.06 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 123.054 0.542 . . . . 0.0 110.384 175.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.9 mtp85 -69.7 -24.2 63.54 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -175.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.0 p -87.94 -20.35 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 CA-C-O 120.915 0.388 . . . . 0.0 111.285 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 1.653 ' HD1' ' CD2' ' A' ' 19' ' ' PHE . 49.3 m-85 -91.75 -26.74 18.44 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 122.322 -0.236 . . . . 0.0 111.271 177.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -85.79 109.85 18.95 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 172.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -74.93 -25.96 59.27 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.865 -1.061 . . . . 0.0 113.708 -174.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -110.32 -11.75 14.5 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -173.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.57 24.61 67.29 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-O 118.831 -0.983 . . . . 0.0 115.144 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -87.46 -18.81 29.05 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 119.272 1.536 . . . . 0.0 112.838 -175.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.08 10.44 34.42 Favored Glycine 0 C--O 1.219 -0.8 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.196 -178.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -138.01 130.26 28.99 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.506 0.722 . . . . 0.0 109.475 174.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.4 mt -94.95 108.59 21.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 175.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 m -84.16 172.78 11.61 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.69 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.555 ' O ' ' HB2' ' A' ' 33' ' ' ARG . . . -70.65 -26.21 63.35 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.846 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.49 -29.51 52.61 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.62 0.247 . . . . 0.0 111.221 175.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.455 ' O ' HG21 ' A' ' 35' ' ' VAL . 51.7 mt-10 -70.63 -54.41 12.08 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.119 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.459 HD12 ' HE3' ' A' ' 36' ' ' MET . 50.0 tp -65.69 -27.1 68.1 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 123.872 0.732 . . . . 0.0 111.59 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.555 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 29.5 ttt-85 -62.91 -44.36 96.29 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.45 0.7 . . . . 0.0 110.52 178.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -75.0 -32.79 61.73 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.814 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.455 HG21 ' O ' ' A' ' 31' ' ' GLU . 66.8 t -68.0 -41.5 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 123.093 0.246 . . . . 0.0 110.868 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.459 ' HE3' HD12 ' A' ' 32' ' ' LEU . 22.8 mmt -65.61 -40.0 92.13 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.79 0.329 . . . . 0.0 111.72 178.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 39.8 m -66.57 -35.74 80.95 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.061 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -68.84 -39.94 79.68 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.716 0.807 . . . . 0.0 111.849 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.489 ' HB2' ' HG2' ' A' ' 41' ' ' GLU . 89.8 mt -74.48 -21.21 59.69 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.922 -179.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.9 18.87 42.12 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.596 -0.602 . . . . 0.0 111.596 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.489 ' HG2' ' HB2' ' A' ' 39' ' ' LEU . 8.5 mm-40 -78.38 -36.82 45.41 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 175.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.3 tttp 58.6 78.8 0.24 Allowed 'General case' 0 C--N 1.349 0.583 0 O-C-N 125.306 1.629 . . . . 0.0 111.156 174.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.47 ' HG ' ' HB2' ' A' ' 47' ' ' GLU . 3.9 tp -109.33 141.47 41.62 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.466 -175.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.2 p -77.25 169.15 18.84 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.175 0.297 . . . . 0.0 110.575 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.448 ' HB2' HH21 ' A' ' 33' ' ' ARG . 35.6 t70 -62.95 -32.72 74.09 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 123.285 0.365 . . . . 0.0 111.167 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.534 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 42.6 mt-10 -67.24 -49.81 63.05 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.315 176.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.47 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 51.0 mt-10 -68.35 -32.49 72.63 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -175.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.487 HG22 ' HA ' ' A' ' 33' ' ' ARG . 79.9 t -67.51 -41.72 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 175.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.473 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 37.0 t70 -60.44 -40.32 90.67 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.719 0.637 . . . . 0.0 111.685 179.041 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 34.2 mt-10 -66.95 -35.05 79.11 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.655 0.597 . . . . 0.0 111.368 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 87.8 mmm -74.32 -30.86 62.23 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 123.395 0.434 . . . . 0.0 111.85 178.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.4 mm -66.65 -52.25 47.69 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.953 0 O-C-N 123.423 0.452 . . . . 0.0 110.59 174.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 49' ' ' ASP . 2.6 ptt180 -71.11 -21.74 62.17 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -177.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -81.09 -26.55 36.14 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.07 0.462 . . . . 0.0 110.751 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.53 -17.56 26.81 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 122.139 -0.351 . . . . 0.0 111.204 175.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -88.92 119.54 29.53 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.243 0.544 . . . . 0.0 110.545 -176.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 79.2 mt -79.92 -46.06 22.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.617 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -88.71 -12.44 42.32 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -166.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.84 53.33 11.69 Favored Glycine 0 CA--C 1.535 1.298 0 N-CA-C 114.439 0.536 . . . . 0.0 114.439 -177.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.4 p30 -109.73 -15.53 14.12 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 117.493 0.647 . . . . 0.0 111.72 174.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.18 -2.93 59.79 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.538 -0.59 . . . . 0.0 113.983 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -138.01 131.85 31.33 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-O 122.25 1.024 . . . . 0.0 110.559 177.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 26.1 t -91.5 103.23 14.3 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.318 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.009 -169.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -79.3 179.58 7.32 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.718 -178.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -50.18 -51.94 39.68 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -175.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.01 -27.01 61.53 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -176.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -69.35 -39.12 78.32 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 122.856 0.462 . . . . 0.0 110.996 177.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -73.09 -34.89 66.46 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.224 177.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.504 ' HA ' HG22 ' A' ' 12' ' ' ILE . 24.1 t -64.77 -41.77 93.12 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.561 0 O-C-N 123.482 0.488 . . . . 0.0 111.027 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -68.36 -27.96 66.71 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -83.01 -23.29 33.34 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 120.669 0.271 . . . . 0.0 110.85 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.46 ' HB3' HD13 ' A' ' 12' ' ' ILE . 75.7 mmm -92.63 -48.09 6.77 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -176.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.9 p -75.22 -29.53 60.3 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 122.332 0.253 . . . . 0.0 111.613 -175.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.64 28.73 4.9 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.153 176.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.2 tttm . . . . . 0 N--CA 1.476 0.851 0 C-N-CA 124.896 1.278 . . . . 0.0 112.529 171.8 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.9 p . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 120.522 0.201 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -78.99 -37.19 39.9 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.028 174.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 87.9 mmm -78.3 108.95 12.01 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.047 172.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -136.04 131.66 35.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.372 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -90.79 114.04 26.32 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.6 t -157.52 128.44 6.6 Favored 'General case' 0 C--O 1.201 -1.45 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -76.75 -3.37 37.83 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.429 -0.794 . . . . 0.0 113.124 -178.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.2 m -76.47 -175.87 3.47 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 122.8 0.44 . . . . 0.0 111.507 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 10.6 pt-20 -59.95 -16.47 30.28 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -177.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -68.69 -36.93 79.14 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.312 1.045 . . . . 0.0 112.301 -177.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -84.83 -23.12 29.2 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.88 0.371 . . . . 0.0 110.265 174.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.488 HG22 ' HA ' ' A' ' 69' ' ' VAL . 19.6 mm -70.57 -22.44 23.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.08 176.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 95.5 mtt-85 -58.66 -46.69 86.62 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.116 0.566 . . . . 0.0 111.156 171.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -76.46 -36.39 57.91 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.868 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.406 ' O ' ' HD1' ' A' ' 19' ' ' PHE . . . -64.21 -33.55 76.07 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 122.964 0.506 . . . . 0.0 111.585 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -65.54 -31.89 73.2 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.086 0.554 . . . . 0.0 111.508 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.4 mmm180 -72.74 -30.38 64.11 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.654 -177.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -79.49 -30.79 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 O-C-N 123.143 0.277 . . . . 0.0 110.495 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.406 ' HD1' ' O ' ' A' ' 15' ' ' ALA . 30.6 m-85 -83.64 -25.11 31.05 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.756 -177.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -89.23 110.75 21.47 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 174.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.542 ' HE2' ' HA ' ' A' ' 21' ' ' LYS . 10.7 mmpt? -73.3 -22.39 60.36 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -175.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -112.79 -11.52 13.47 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.619 0.599 . . . . 0.0 112.619 -176.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.45 21.79 68.89 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-O 118.848 -0.974 . . . . 0.0 115.44 176.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -90.13 -18.75 25.24 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.273 1.536 . . . . 0.0 113.914 -173.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.78 13.2 26.26 Favored Glycine 0 CA--C 1.523 0.533 0 C-N-CA 120.445 -0.883 . . . . 0.0 113.255 -178.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 1.631 ' HD2' ' CD1' ' A' ' 26' ' ' TYR . 48.6 m-85 -137.69 130.81 30.49 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 175.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 55.5 mt -101.21 107.33 21.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 174.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.5 m -83.58 176.08 9.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.696 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.515 ' O ' ' HB2' ' A' ' 33' ' ' ARG . . . -65.98 -36.67 83.95 Favored 'General case' 0 C--O 1.212 -0.879 0 O-C-N 123.188 0.305 . . . . 0.0 111.458 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.05 -32.64 70.85 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 123.294 0.371 . . . . 0.0 111.889 178.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.444 ' O ' HG21 ' A' ' 35' ' ' VAL . 49.4 mt-10 -70.74 -52.74 18.88 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.572 -178.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.6 tp -66.3 -30.86 71.36 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.876 0.735 . . . . 0.0 111.123 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.515 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 33.0 ttm180 -58.39 -47.04 85.17 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.347 1.059 . . . . 0.0 111.558 176.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -70.76 -33.57 70.92 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.486 -177.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.498 HG23 ' HE3' ' A' ' 21' ' ' LYS . 23.3 t -66.87 -43.72 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 123.244 0.34 . . . . 0.0 110.547 176.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.6 mmt -64.09 -37.86 88.97 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.867 0.467 . . . . 0.0 111.806 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 54.6 m -66.06 -38.44 88.36 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.012 176.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -71.29 -34.92 71.07 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.425 0.69 . . . . 0.0 112.187 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 95.8 mt -72.53 -27.43 62.23 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 122.685 0.394 . . . . 0.0 111.794 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.5 10.41 44.37 Favored Glycine 0 C--N 1.335 0.483 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 -174.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -76.09 -24.76 55.04 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 123.636 0.774 . . . . 0.0 111.313 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.1 pttt 45.38 53.18 8.43 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 126.05 1.74 . . . . 0.0 113.636 177.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 mp -81.78 130.67 35.14 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.336 178.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.26 176.49 7.34 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.247 179.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.14 -39.54 93.15 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 122.22 -0.3 . . . . 0.0 111.7 -177.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -70.59 -32.87 70.41 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.366 0.416 . . . . 0.0 111.557 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -70.0 -44.43 69.36 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.38 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.515 HG22 ' HA ' ' A' ' 33' ' ' ARG . 60.4 t -69.44 -33.49 57.62 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.608 0 O-C-N 123.515 0.51 . . . . 0.0 110.374 177.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.458 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 23.8 t70 -58.66 -46.77 86.45 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 122.935 0.494 . . . . 0.0 111.645 177.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -71.44 -27.23 63.13 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 123.378 0.424 . . . . 0.0 112.058 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.1 mmt -79.42 -27.45 41.74 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.6 mm -66.71 -50.21 67.88 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.845 0 O-C-N 123.623 0.577 . . . . 0.0 109.991 174.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 49' ' ' ASP . 8.5 ptt180 -73.03 -21.87 60.73 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -72.16 -32.39 66.82 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 120.974 0.416 . . . . 0.0 110.646 173.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.75 -21.06 24.01 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.798 178.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -92.44 121.92 34.38 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.553 -173.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 60.4 mt -79.39 -46.55 23.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.756 -176.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -88.56 -11.49 45.48 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -169.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.09 42.86 57.99 Favored Glycine 0 CA--C 1.538 1.497 0 N-CA-C 115.182 0.833 . . . . 0.0 115.182 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 45.6 p30 -99.79 -16.12 18.2 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 117.66 0.73 . . . . 0.0 112.155 178.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.57 -6.06 67.6 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-O 119.752 -0.471 . . . . 0.0 113.883 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.535 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 11.1 mt-30 -128.68 131.09 47.98 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 121.552 0.691 . . . . 0.0 109.872 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.8 t -96.97 109.76 23.71 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.182 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.59 -170.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -65.25 -179.3 0.57 Allowed 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.508 0.671 . . . . 0.0 112.086 177.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -62.71 -45.81 91.02 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.882 167.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -60.87 -38.1 84.44 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.413 0.685 . . . . 0.0 112.76 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -76.25 -32.75 59.04 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 122.899 0.479 . . . . 0.0 111.767 -177.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -71.99 -42.18 66.78 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.514 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.488 ' HA ' HG22 ' A' ' 12' ' ' ILE . 72.3 t -62.53 -39.22 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 O-C-N 123.531 0.519 . . . . 0.0 111.134 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -67.34 -31.6 71.98 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -81.57 -26.49 34.95 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 122.977 0.173 . . . . 0.0 111.294 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 70.9 mmm -83.38 -27.99 29.26 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -178.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.0 p -90.48 -32.74 16.25 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 111.582 0.215 . . . . 0.0 111.582 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.36 -44.51 29.14 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 120.567 0.222 . . . . 0.0 110.829 175.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 85.3 tttt . . . . . 0 N--CA 1.467 0.402 0 O-C-N 125.482 1.739 . . . . 0.0 112.014 173.641 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.7 p . . . . . 0 N--CA 1.471 0.606 0 CA-C-O 120.878 0.37 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.6 mt -76.87 -36.13 56.97 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.157 174.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 88.7 mtp -94.56 91.34 6.54 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.693 0.759 . . . . 0.0 109.39 171.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -95.93 19.59 11.27 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 114.709 -1.132 . . . . 0.0 109.314 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -64.03 -75.05 0.09 Allowed 'General case' 0 C--N 1.344 0.332 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.754 177.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.8 p 48.2 34.8 4.72 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 125.502 1.521 . . . . 0.0 114.052 171.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -80.37 9.52 5.73 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -166.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.7 p -80.83 -170.06 2.49 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.367 0.604 . . . . 0.0 111.628 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 8.0 mp0 -71.2 -14.24 62.19 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.839 -171.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.479 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 3.4 mp0 -79.25 -27.17 42.37 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 122.546 0.339 . . . . 0.0 111.341 -177.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -83.31 -25.96 31.04 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 172.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.519 HG22 ' HA ' ' A' ' 69' ' ' VAL . 39.0 mm -68.49 -30.74 48.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 172.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.479 ' HD2' ' HA ' ' A' ' 10' ' ' GLU . 94.0 mtt180 -65.93 -38.89 89.83 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.216 0.606 . . . . 0.0 111.187 171.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -72.74 -34.53 67.11 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.782 0.676 . . . . 0.0 110.862 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.26 -37.23 83.15 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 122.845 0.458 . . . . 0.0 110.449 174.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -64.46 -27.22 68.84 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.528 0.731 . . . . 0.0 110.94 177.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -73.53 -25.85 60.6 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 t -82.16 -42.05 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 176.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 1.662 ' HD2' ' CD1' ' A' ' 19' ' ' PHE . 38.0 m-85 -73.13 -32.54 64.97 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.763 -1.108 . . . . 0.0 112.092 -174.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -91.85 102.85 15.44 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.09 0.471 . . . . 0.0 109.752 175.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.442 ' HE2' HG23 ' A' ' 35' ' ' VAL . 73.4 mmtt -77.67 -29.7 51.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.304 -0.862 . . . . 0.0 113.032 -178.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -96.49 -12.02 24.73 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -173.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.5 27.69 67.11 Favored Glycine 0 CA--C 1.536 1.393 0 N-CA-C 115.41 0.924 . . . . 0.0 115.41 177.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -92.99 -16.14 25.42 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 118.866 1.333 . . . . 0.0 113.045 -175.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.14 13.38 49.32 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.953 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 1.651 ' HE1' ' CE2' ' A' ' 26' ' ' TYR . 97.6 m-85 -138.75 130.4 27.58 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.795 0.838 . . . . 0.0 109.376 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.511 ' HB ' ' HB ' ' A' ' 63' ' ' VAL . 65.3 mt -99.16 110.53 26.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.0 p -89.61 171.64 9.53 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.127 176.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.542 ' O ' ' HB2' ' A' ' 33' ' ' ARG . . . -71.04 -22.4 62.14 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.542 178.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.94 -35.56 72.27 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 122.427 0.291 . . . . 0.0 111.636 176.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.431 ' O ' HG21 ' A' ' 35' ' ' VAL . 43.3 mt-10 -74.16 -51.18 16.35 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.663 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.8 tp -63.06 -30.23 71.43 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 124.106 0.878 . . . . 0.0 111.746 -178.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.542 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 20.8 ttt-85 -62.46 -43.95 97.58 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.725 0.81 . . . . 0.0 110.974 176.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -73.38 -34.5 65.59 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.206 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.442 HG23 ' HE2' ' A' ' 21' ' ' LYS . 96.5 t -69.25 -45.95 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 123.347 0.404 . . . . 0.0 110.792 -177.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.53 ' HA ' ' HE3' ' A' ' 36' ' ' MET . 30.3 mmt -61.31 -45.14 95.71 Favored 'General case' 0 C--O 1.223 -0.341 0 O-C-N 123.313 0.383 . . . . 0.0 111.738 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 m -70.16 -29.56 66.49 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -74.58 -42.51 58.59 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.003 0.521 . . . . 0.0 111.527 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.2 mp -73.77 -15.01 61.21 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -178.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.48 5.81 42.13 Favored Glycine 0 C--N 1.337 0.603 0 C-N-CA 121.296 -0.478 . . . . 0.0 113.171 176.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -76.38 -42.78 43.31 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 122.712 0.405 . . . . 0.0 110.066 178.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt 54.3 69.54 0.71 Allowed 'General case' 0 N--CA 1.473 0.692 0 O-C-N 124.803 1.314 . . . . 0.0 111.607 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.0 tp -89.51 143.9 26.45 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.757 -173.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.03 158.53 35.5 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.475 0.485 . . . . 0.0 110.569 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -55.31 -47.67 75.26 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.324 1.05 . . . . 0.0 113.009 -177.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -72.1 -27.08 62.42 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 178.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -72.07 -35.49 69.28 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 123.258 0.349 . . . . 0.0 111.063 176.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 70.6 t -64.06 -39.99 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 123.471 0.708 . . . . 0.0 110.419 174.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -59.91 -39.13 84.37 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.381 0.672 . . . . 0.0 111.154 175.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.513 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 44.8 mt-10 -73.0 -31.21 64.35 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.393 -179.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 72.2 mmm -73.85 -32.23 63.55 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.095 0.158 . . . . 0.0 110.655 175.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.5 mm -68.65 -46.46 79.81 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.631 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.029 175.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.513 ' HG2' ' HA ' ' A' ' 50' ' ' GLU . 17.5 ptm180 -71.88 -24.91 61.74 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -176.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.401 ' HB3' ' CE1' ' A' ' 71' ' ' HIS . 25.5 mt-10 -71.22 -38.35 72.01 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-O 120.791 0.329 . . . . 0.0 111.243 174.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.53 -18.13 36.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.872 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -86.22 115.17 23.6 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.923 0.868 . . . . 0.0 109.271 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.42 HD12 ' HB2' ' A' ' 70' ' ' GLN . 85.3 mt -79.49 -36.34 17.65 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.031 0 CA-C-N 114.207 -1.361 . . . . 0.0 111.059 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -100.28 -12.37 19.56 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 -170.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.15 59.62 5.32 Favored Glycine 0 CA--C 1.54 1.635 0 N-CA-C 114.935 0.734 . . . . 0.0 114.935 -176.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.1 p30 -114.6 -15.52 11.97 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 118.124 0.962 . . . . 0.0 111.949 175.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.96 -10.46 44.39 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 121.701 -0.285 . . . . 0.0 113.304 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -126.57 157.5 38.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 122.153 0.977 . . . . 0.0 110.985 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.511 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 54.0 t -113.68 107.46 22.99 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -173.011 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -76.6 -173.04 2.41 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -178.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -65.72 -50.93 63.04 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.32 177.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -59.11 -34.03 71.54 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.284 1.034 . . . . 0.0 112.448 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -76.46 -36.78 57.69 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.604 -177.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -70.09 -44.83 68.25 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.734 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.519 ' HA ' HG22 ' A' ' 12' ' ' ILE . 55.7 t -63.88 -46.91 92.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 O-C-N 123.886 0.741 . . . . 0.0 111.884 -176.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.42 ' HB2' HD12 ' A' ' 57' ' ' ILE . 17.2 mm100 -68.94 -24.23 64.25 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -176.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.401 ' CE1' ' HB3' ' A' ' 54' ' ' GLU . 84.0 t60 -83.03 -33.66 26.43 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 119.765 -0.159 . . . . 0.0 110.976 175.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 60.4 mmm -76.09 -38.51 56.88 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -175.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.5 p -86.66 -26.51 24.29 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -176.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.26 -31.04 17.15 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.79 0.329 . . . . 0.0 111.366 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.2 tttm . . . . . 0 CA--C 1.538 0.481 0 CA-C-O 122.056 0.931 . . . . 0.0 110.199 -176.711 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 120.423 0.154 . . . . 0.0 111.414 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.2 mt -111.76 145.03 40.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.636 0.255 . . . . 0.0 110.632 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 59.8 ttp -108.24 -52.75 2.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.727 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.0 mttp 63.25 -171.5 0.17 Allowed 'General case' 0 N--CA 1.481 1.095 0 O-C-N 124.545 1.153 . . . . 0.0 112.407 -176.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -73.9 -53.27 10.53 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 171.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.4 m -120.5 137.75 54.2 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 114.208 -1.36 . . . . 0.0 107.376 172.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -81.86 14.6 2.63 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 122.938 0.495 . . . . 0.0 112.289 -173.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.5 m 68.19 -121.81 0.18 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.617 1.567 . . . . 0.0 111.866 173.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -78.04 -25.17 47.67 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.745 0.783 . . . . 0.0 109.915 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.53 ' HA ' ' HG3' ' A' ' 13' ' ' ARG . 46.2 mt-10 -77.83 -21.06 52.08 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.533 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -61.52 -36.04 79.41 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.739 0.781 . . . . 0.0 110.263 167.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.507 HG22 ' HA ' ' A' ' 69' ' ' VAL . 19.2 mm -75.68 -21.84 16.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 114.455 -1.248 . . . . 0.0 111.005 -174.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.53 ' HG3' ' HA ' ' A' ' 10' ' ' GLU . 52.6 mtm180 -57.9 -43.46 86.15 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.474 0.309 . . . . 0.0 111.399 175.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.48 -37.94 77.48 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.75 0.82 . . . . 0.0 111.539 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.521 ' O ' ' HD1' ' A' ' 19' ' ' PHE . . . -66.03 -42.16 89.98 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 123.051 0.219 . . . . 0.0 110.67 175.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -61.84 -30.21 70.69 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.161 0.985 . . . . 0.0 111.399 175.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -74.88 -23.65 58.42 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.17 0.988 . . . . 0.0 111.721 -175.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -75.86 -41.42 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 173.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.521 ' HD1' ' O ' ' A' ' 15' ' ' ALA . 60.9 m-85 -78.21 -33.8 49.72 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 114.64 -1.164 . . . . 0.0 112.115 -170.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -87.5 108.21 18.92 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 173.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.474 ' HE2' HG23 ' A' ' 35' ' ' VAL . 72.3 mmtt -78.58 -25.25 45.24 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.62 0.971 . . . . 0.0 113.62 -176.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -100.99 -11.27 19.82 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -177.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.86 40.94 93.72 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 114.844 0.697 . . . . 0.0 114.844 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -98.84 -18.22 18.03 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 118.492 1.146 . . . . 0.0 112.314 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.66 10.96 34.14 Favored Glycine 0 C--O 1.222 -0.654 0 C-N-CA 120.61 -0.805 . . . . 0.0 113.544 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 1.64 ' HE1' ' CE2' ' A' ' 26' ' ' TYR . 39.4 m-85 -141.46 130.3 23.01 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 117.162 0.481 . . . . 0.0 110.155 174.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.4 mt -100.71 119.47 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.3 p -96.69 178.49 5.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.134 175.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.77 -23.08 60.76 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.891 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.88 -38.01 70.08 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 120.474 0.178 . . . . 0.0 110.922 176.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.442 ' O ' HG21 ' A' ' 35' ' ' VAL . 41.1 mt-10 -70.62 -49.63 45.57 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.957 0.786 . . . . 0.0 111.043 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.404 HD12 ' HE3' ' A' ' 36' ' ' MET . 48.4 tp -66.97 -28.77 68.54 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 123.97 0.794 . . . . 0.0 112.095 -176.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.497 ' HA ' HG22 ' A' ' 48' ' ' VAL . 56.5 ttt-85 -67.88 -37.53 81.9 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.129 0.172 . . . . 0.0 110.889 178.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -69.59 -39.39 77.3 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.088 176.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.474 HG23 ' HE2' ' A' ' 21' ' ' LYS . 43.0 t -68.22 -41.93 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 O-C-N 123.249 0.343 . . . . 0.0 111.355 -178.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.404 ' HE3' HD12 ' A' ' 32' ' ' LEU . 22.8 mmt -62.48 -46.99 85.94 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 122.622 0.369 . . . . 0.0 111.835 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.7 m -72.75 -24.84 61.01 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.584 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -71.03 -45.25 64.23 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 122.876 0.47 . . . . 0.0 110.764 175.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.55 -20.12 60.72 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.424 -175.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.22 18.38 9.25 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.654 -0.784 . . . . 0.0 113.181 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -84.3 -43.58 14.67 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 176.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? 59.43 90.31 0.05 Allowed 'General case' 0 N--CA 1.473 0.69 0 O-C-N 125.301 1.625 . . . . 0.0 109.478 -174.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.473 ' HG ' ' HB2' ' A' ' 47' ' ' GLU . 5.3 tp -124.84 135.89 53.33 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.753 -174.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.1 p -77.41 168.6 19.75 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.428 0.455 . . . . 0.0 110.164 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -63.12 -30.48 71.63 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -177.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 40.2 mt-10 -72.17 -41.83 66.61 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.67 0.606 . . . . 0.0 111.166 177.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.473 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 47.7 mt-10 -71.51 -33.12 68.94 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 123.448 0.468 . . . . 0.0 111.057 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.497 HG22 ' HA ' ' A' ' 33' ' ' ARG . 45.1 t -70.63 -35.27 60.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 123.697 0.799 . . . . 0.0 111.001 175.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -67.1 -31.91 72.71 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 122.61 0.364 . . . . 0.0 111.263 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 7.7 mm-40 -65.67 -35.84 81.93 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.655 0.382 . . . . 0.0 110.711 173.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 94.8 mmm -76.72 -31.56 57.23 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.694 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.2 mm -67.45 -46.08 84.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.82 0 O-C-N 123.581 0.551 . . . . 0.0 110.669 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.9 ptt85 -73.68 -21.0 60.39 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 123.42 0.45 . . . . 0.0 111.971 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -77.05 -31.58 56.28 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 122.819 0.448 . . . . 0.0 110.693 175.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.55 -16.11 29.4 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.938 178.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -87.04 122.53 30.99 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.333 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 74.2 mt -79.88 -34.82 15.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.069 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -104.18 -11.1 17.46 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -171.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.89 41.17 62.73 Favored Glycine 0 CA--C 1.538 1.518 0 CA-C-O 119.162 -0.799 . . . . 0.0 114.964 -177.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.5 p30 -94.46 -16.01 23.74 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 118.367 1.084 . . . . 0.0 112.462 176.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.07 3.7 56.76 Favored Glycine 0 CA--C 1.527 0.824 0 O-C-N 123.214 0.321 . . . . 0.0 113.332 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.408 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 4.1 mt-30 -135.86 137.17 41.19 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.894 0.855 . . . . 0.0 109.784 178.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.8 t -104.92 109.12 26.62 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.693 -175.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.528 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 4.4 p30 -87.38 -175.96 5.45 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.253 177.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -51.54 -53.41 38.13 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 123.906 0.882 . . . . 0.0 113.226 -177.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.55 -28.61 63.98 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -175.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.35 -36.44 76.9 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 123.558 0.536 . . . . 0.0 110.895 175.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -75.99 -40.17 54.3 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.084 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.507 ' HA ' HG22 ' A' ' 12' ' ' ILE . 72.4 t -61.33 -44.04 97.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 122.877 0.471 . . . . 0.0 110.748 177.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -67.79 -20.76 65.24 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -84.04 -28.15 27.84 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 122.164 -0.335 . . . . 0.0 110.649 175.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 79.2 mmm -86.28 -49.08 7.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.549 -175.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.6 p -83.4 -36.55 24.2 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -173.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.44 164.82 14.14 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.238 0.542 . . . . 0.0 111.649 -176.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.4 tttt . . . . . 0 C--O 1.235 0.334 0 CA-C-N 114.66 -1.154 . . . . 0.0 111.451 -173.963 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.2 p . . . . . 0 N--CA 1.475 0.791 0 CA-C-O 119.307 -0.377 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 52.3 tp 60.0 81.91 0.17 Allowed 'General case' 0 N--CA 1.478 0.958 0 O-C-N 124.543 1.152 . . . . 0.0 109.939 -171.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 88.4 mmm -96.62 82.28 3.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.654 -170.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt 53.86 86.23 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.409 1.483 . . . . 0.0 113.328 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -87.63 103.77 15.89 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 173.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.4 m -113.51 116.59 29.81 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.227 -174.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -89.31 -87.57 0.17 Allowed 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -172.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.512 ' O ' HG12 ' A' ' 12' ' ' ILE . 79.9 p -144.5 -161.51 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -169.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.8 -16.4 62.18 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 122.735 0.414 . . . . 0.0 111.422 178.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.526 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 43.3 mt-10 -71.73 -27.56 63.09 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.882 0.473 . . . . 0.0 111.222 174.624 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -85.06 -27.33 26.41 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.048 0.452 . . . . 0.0 110.141 173.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 8' ' ' SER . 31.8 mm -68.93 -21.94 26.0 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.901 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.1 176.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.526 ' HD3' ' HA ' ' A' ' 10' ' ' GLU . 16.2 mtp180 -56.38 -41.63 76.54 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.067 0.547 . . . . 0.0 112.143 168.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -81.37 -35.27 31.02 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.581 0.352 . . . . 0.0 111.16 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.82 -26.52 66.11 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.924 0.392 . . . . 0.0 111.327 177.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -69.87 -32.67 71.16 Favored 'General case' 0 C--O 1.207 -1.162 0 C-N-CA 123.413 0.685 . . . . 0.0 110.218 173.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -80.05 -14.84 58.23 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -177.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.41 -34.36 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 172.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -87.91 -44.57 10.95 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.496 -175.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -84.5 107.09 16.55 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 174.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -78.1 -33.76 50.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.783 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -91.42 -12.32 35.11 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -171.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.14 46.4 94.07 Favored Glycine 0 CA--C 1.529 0.961 0 CA-C-O 119.372 -0.682 . . . . 0.0 114.624 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -99.84 -14.52 18.75 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.142 0.971 . . . . 0.0 111.891 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.466 ' O ' ' HA ' ' A' ' 64' ' ' ASN . . . 100.1 10.58 45.19 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.781 -178.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 1.647 ' HE2' ' CE1' ' A' ' 26' ' ' TYR . 52.5 m-85 -140.66 130.52 24.48 Favored 'General case' 0 CA--C 1.524 -0.033 0 C-N-CA 123.396 0.678 . . . . 0.0 110.419 178.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.4 mt -95.8 107.41 19.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 169.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.7 p -84.26 177.43 8.19 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.354 177.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' ' 33' ' ' ARG . . . -70.61 -21.51 62.64 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.697 178.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.22 -36.19 63.93 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.487 0.184 . . . . 0.0 110.92 175.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -74.22 -44.61 52.52 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.863 -177.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.3 tp -69.61 -31.38 69.48 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.504 0.502 . . . . 0.0 110.902 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.447 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 63.4 ttt-85 -65.82 -34.18 77.57 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.143 0.577 . . . . 0.0 111.165 176.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -78.94 -41.9 28.23 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.031 -175.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.447 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 27.7 m -76.78 -33.73 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -174.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.498 ' HG3' HD23 ' A' ' 43' ' ' LEU . 21.2 mmt -66.85 -50.54 62.18 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 117.866 0.303 . . . . 0.0 110.993 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.7 m -60.47 -32.04 71.02 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 124.209 0.943 . . . . 0.0 111.708 177.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -72.16 -33.8 67.99 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 122.82 0.448 . . . . 0.0 111.775 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 95.3 mt -73.5 -25.29 60.37 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 122.407 0.283 . . . . 0.0 111.746 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.52 -5.31 8.66 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.366 177.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -98.37 132.5 43.79 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -104.6 76.41 1.29 Allowed 'General case' 0 C--N 1.295 -1.783 0 CA-C-O 121.677 0.751 . . . . 0.0 110.758 -170.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.498 HD23 ' HG3' ' A' ' 36' ' ' MET . 4.9 mp -81.93 122.7 28.09 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.085 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.1 p -76.3 177.21 7.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.718 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -65.73 -28.89 69.38 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -71.23 -45.94 62.2 Favored 'General case' 0 C--O 1.223 -0.339 0 O-C-N 123.85 0.719 . . . . 0.0 109.915 175.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.3 -43.0 87.51 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.925 0.765 . . . . 0.0 112.207 -177.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.0 t -64.44 -41.8 93.4 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.448 0 O-C-N 123.855 0.722 . . . . 0.0 110.779 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -58.62 -43.85 89.79 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.235 0.614 . . . . 0.0 112.112 178.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.467 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 47.3 mt-10 -75.2 -29.82 60.44 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.68 -178.338 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 93.0 mmm -73.55 -31.08 63.46 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 121.977 0.111 . . . . 0.0 111.244 175.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 21.2 mm -68.71 -48.87 69.17 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.754 0 O-C-N 123.606 0.566 . . . . 0.0 110.828 175.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.467 ' HG2' ' HA ' ' A' ' 50' ' ' GLU . 14.1 ptp180 -73.16 -25.65 60.89 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -173.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -85.78 -11.05 54.51 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.986 0.422 . . . . 0.0 111.366 177.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.97 -13.64 19.01 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.691 173.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -94.97 121.61 36.76 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.348 -175.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 82.1 mt -79.69 -46.83 22.47 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.554 -175.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -86.12 -11.89 51.45 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -171.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.87 43.75 57.68 Favored Glycine 0 CA--C 1.534 1.249 0 N-CA-C 114.792 0.677 . . . . 0.0 114.792 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 45.4 p30 -99.98 -15.82 18.16 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.032 0.916 . . . . 0.0 111.664 176.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.44 0.86 62.65 Favored Glycine 0 CA--C 1.532 1.131 0 CA-C-O 119.668 -0.518 . . . . 0.0 114.231 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.478 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 23.3 mt-30 -136.07 131.03 34.34 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.049 0.925 . . . . 0.0 109.975 175.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 54.6 t -90.09 109.66 20.93 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.268 -170.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.466 ' HA ' ' O ' ' A' ' 25' ' ' GLY . 50.0 m-80 -64.04 178.79 0.61 Allowed 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.664 0.745 . . . . 0.0 112.329 177.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -58.24 -47.08 84.64 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.033 165.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.519 ' HG3' ' HG3' ' A' ' 67' ' ' GLU . 7.9 pt-20 -58.87 -40.83 85.52 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.38 0.672 . . . . 0.0 112.389 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.519 ' HG3' ' HG3' ' A' ' 66' ' ' GLU . 52.2 mt-10 -76.88 -32.82 57.74 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.062 -174.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -77.11 -30.28 55.17 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-O 118.993 -0.527 . . . . 0.0 110.559 176.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.499 ' HA ' HG22 ' A' ' 12' ' ' ILE . 31.1 t -64.27 -46.84 92.12 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.92 0 CA-C-N 117.984 0.356 . . . . 0.0 110.105 174.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -71.01 -24.65 62.41 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.34 0.59 . . . . 0.0 112.044 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -73.71 -33.03 64.21 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.107 0.963 . . . . 0.0 110.654 173.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 63.5 mmm -91.08 -23.54 20.29 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -175.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.6 p -96.18 -19.98 18.93 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -177.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -116.34 -163.35 0.9 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.207 176.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.1 mttp . . . . . 0 CA--C 1.534 0.341 0 CA-C-O 121.157 0.504 . . . . 0.0 111.378 -177.164 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 N--CA 1.476 0.836 0 CA-C-O 120.808 0.337 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 88.3 mt -116.15 114.55 24.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.351 -177.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.646 ' HE3' ' HA ' ' A' ' 3' ' ' MET . 5.3 mmt -94.88 80.56 3.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.768 0.794 . . . . 0.0 110.873 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -114.05 -81.24 0.6 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.468 -1.242 . . . . 0.0 108.129 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 72.1 -25.59 0.18 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 125.851 1.661 . . . . 0.0 115.226 168.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.458 ' HB ' HD11 ' A' ' 12' ' ' ILE . 16.9 p -65.89 105.7 1.37 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.733 0.813 . . . . 0.0 111.77 -176.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -103.79 -61.59 1.41 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.246 -172.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.0 m -91.1 163.65 14.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.48 -172.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -63.99 -32.54 74.12 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.332 0.653 . . . . 0.0 111.067 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -72.19 -22.93 61.2 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.855 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -84.69 -24.03 29.12 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 120.631 0.253 . . . . 0.0 110.649 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.55 HG22 ' HA ' ' A' ' 69' ' ' VAL . 18.7 mm -71.0 -22.86 23.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.224 176.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.51 ' HG2' ' CE1' ' A' ' 65' ' ' TYR . 56.4 mtm180 -60.07 -39.96 87.87 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.907 0.483 . . . . 0.0 111.612 177.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -76.56 -39.2 53.49 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.583 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.19 -35.26 79.72 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 123.814 0.696 . . . . 0.0 111.312 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -62.23 -35.24 78.31 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.692 0.797 . . . . 0.0 111.755 177.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 45.7 mtm180 -77.96 -16.84 57.84 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -176.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -85.4 -37.88 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 174.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -74.42 -31.81 62.44 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.656 -176.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -83.34 106.15 14.87 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 172.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.512 ' HE3' ' HD2' ' A' ' 34' ' ' HIS . 3.3 mmmp? -78.12 -21.92 49.63 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -174.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -104.7 -11.19 17.0 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -177.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.54 37.55 78.18 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 114.997 0.759 . . . . 0.0 114.997 177.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -100.81 -10.88 20.33 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 118.6 1.2 . . . . 0.0 112.891 -177.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.65 13.73 46.34 Favored Glycine 0 C--N 1.334 0.42 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.916 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 1.637 ' HE1' ' CE2' ' A' ' 26' ' ' TYR . 69.6 m-85 -142.4 130.15 21.59 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 123.904 0.881 . . . . 0.0 109.816 -178.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 63' ' ' VAL . 69.4 mt -102.23 118.52 49.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.2 p -92.25 177.49 6.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.48 177.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.85 -24.81 62.59 Favored 'General case' 0 C--O 1.208 -1.084 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.856 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.03 -30.46 44.18 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 122.132 -0.355 . . . . 0.0 111.467 177.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -73.39 -44.93 57.53 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 123.217 0.323 . . . . 0.0 111.519 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.9 tp -71.4 -29.82 65.38 Favored 'General case' 0 C--O 1.22 -0.448 0 O-C-N 123.72 0.637 . . . . 0.0 110.521 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.459 ' HA ' HG22 ' A' ' 48' ' ' VAL . 5.5 ttp180 -65.85 -38.16 88.12 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.756 174.187 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.512 ' HD2' ' HE3' ' A' ' 21' ' ' LYS . 46.5 t60 -74.32 -37.31 63.64 Favored 'General case' 0 N--CA 1.438 -1.026 0 O-C-N 123.787 0.679 . . . . 0.0 109.55 -171.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.8 m -76.87 -27.85 16.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.9 mmt -70.54 -40.26 73.52 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 121.132 0.491 . . . . 0.0 110.666 175.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 26.9 m -72.88 -32.59 65.49 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.877 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -67.77 -32.58 73.27 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.874 0.47 . . . . 0.0 112.125 175.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.0 mt -77.36 -8.16 57.24 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 122.647 0.379 . . . . 0.0 111.979 178.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.19 3.47 79.0 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 121.74 -0.267 . . . . 0.0 113.006 177.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -80.9 -37.17 30.15 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 76.7 tttt 62.11 81.64 0.19 Allowed 'General case' 0 C--N 1.349 0.549 0 O-C-N 125.213 1.571 . . . . 0.0 111.362 171.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 tp -98.41 137.96 36.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.025 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -75.71 168.03 20.78 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.16 0.288 . . . . 0.0 111.413 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -59.55 -41.61 90.51 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.51 -173.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 40.2 mt-10 -74.29 -36.13 63.74 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.913 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.04 -37.44 87.59 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.695 0.398 . . . . 0.0 112.013 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.459 HG22 ' HA ' ' A' ' 33' ' ' ARG . 93.3 t -70.73 -32.97 50.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.711 179.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -69.43 -30.74 68.74 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.105 0.162 . . . . 0.0 110.646 176.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 12.7 mm-40 -67.4 -32.89 74.1 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 122.872 0.469 . . . . 0.0 111.14 171.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 99.1 mmm -76.6 -28.25 56.09 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.071 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.8 mm -69.31 -42.4 81.29 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.882 0 O-C-N 123.376 0.422 . . . . 0.0 110.752 176.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.7 ptt85 -73.4 -22.7 60.18 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.233 0.47 . . . . 0.0 112.074 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -82.22 -16.66 48.82 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.074 0.149 . . . . 0.0 111.365 175.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.56 -32.97 11.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.93 0.395 . . . . 0.0 111.26 177.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -83.48 118.86 24.05 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.659 0.742 . . . . 0.0 110.58 -174.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 58.1 mt -79.99 -47.41 21.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 114.056 -1.429 . . . . 0.0 110.785 -178.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -88.22 -12.18 44.53 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -165.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.41 56.61 7.47 Favored Glycine 0 CA--C 1.534 1.27 0 N-CA-C 114.397 0.519 . . . . 0.0 114.397 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.9 p30 -115.34 -15.26 11.58 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 117.551 0.676 . . . . 0.0 112.513 175.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.55 -16.08 56.75 Favored Glycine 0 CA--C 1.534 1.228 0 N-CA-C 114.406 0.522 . . . . 0.0 114.406 -178.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.54 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 13.3 mt-30 -125.91 133.7 51.8 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 122.026 0.917 . . . . 0.0 110.654 -179.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.401 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 61.2 t -97.64 110.32 25.17 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 CA-C-N 113.85 -1.523 . . . . 0.0 108.777 -168.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.5 -173.63 3.44 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.51 ' CE1' ' HG2' ' A' ' 13' ' ' ARG . 35.5 t80 -59.27 -53.02 62.98 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.21 176.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.84 -29.72 70.88 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -76.21 -35.61 58.98 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.023 0.529 . . . . 0.0 111.022 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -72.04 -33.09 67.72 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.948 178.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.55 ' HA ' HG22 ' A' ' 12' ' ' ILE . 80.6 t -67.02 -38.44 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 122.677 0.391 . . . . 0.0 111.007 -178.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -68.13 -33.04 73.75 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -81.05 -20.03 42.53 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.372 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 78.6 mmm -89.4 -26.76 20.84 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.3 p -88.94 -36.11 16.09 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.978 0.418 . . . . 0.0 110.882 178.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -105.81 -160.38 0.75 Allowed 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.67 173.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.2 mttp . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.448 171.197 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.5 m . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 120.65 0.262 . . . . 0.0 111.465 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 37.4 tp -159.3 81.16 0.76 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.68 -174.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 47.9 tpp 74.07 -27.57 0.19 Allowed 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 166.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -87.71 1.6 53.37 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.562 -0.711 . . . . 0.0 111.619 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.17 115.59 16.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.132 -172.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 p -85.84 104.57 15.63 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.272 -178.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -121.66 16.94 11.16 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.194 172.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.451 ' O ' HG12 ' A' ' 12' ' ' ILE . 50.7 m -71.47 168.02 18.4 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 114.767 -1.106 . . . . 0.0 111.19 178.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -59.35 -34.3 72.2 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.156 0.982 . . . . 0.0 113.101 -172.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -67.21 -33.02 74.49 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.773 0.829 . . . . 0.0 112.157 177.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -78.14 -28.47 48.44 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.614 0.245 . . . . 0.0 110.636 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.538 HG22 ' HA ' ' A' ' 69' ' ' VAL . 16.5 mm -69.45 -22.18 25.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.642 178.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -58.12 -47.0 84.64 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.758 0.423 . . . . 0.0 111.75 175.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -81.74 -30.56 32.39 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.036 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.01 -29.72 70.66 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 122.656 0.383 . . . . 0.0 111.544 176.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -68.73 -35.23 76.85 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.515 175.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.6 mtt180 -74.3 -18.16 60.75 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -176.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.96 -38.01 35.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 174.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -80.28 -42.55 22.91 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.71 -175.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.91 105.69 13.23 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.349 178.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -78.47 -29.5 46.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.845 -1.07 . . . . 0.0 112.764 -176.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -96.15 -11.7 25.81 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -174.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.89 25.41 75.81 Favored Glycine 0 CA--C 1.535 1.286 0 N-CA-C 115.523 0.969 . . . . 0.0 115.523 177.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -85.21 -16.31 40.72 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 118.734 1.267 . . . . 0.0 112.274 -177.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.91 10.51 52.22 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.856 -0.688 . . . . 0.0 113.113 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.512 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 69.2 m-85 -138.91 129.87 26.49 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.302 0.641 . . . . 0.0 109.934 177.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.9 mt -92.33 109.15 21.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 176.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 76.2 p -82.04 173.32 12.28 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.212 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.69 -26.57 65.36 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.644 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.75 -35.5 72.68 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 122.419 0.288 . . . . 0.0 111.579 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.401 ' O ' HG21 ' A' ' 35' ' ' VAL . 41.6 mt-10 -72.18 -51.74 19.81 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.323 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.5 tp -66.99 -31.38 71.9 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 123.888 0.742 . . . . 0.0 111.614 -176.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.52 ' HA ' HG22 ' A' ' 48' ' ' VAL . 34.0 ttt180 -64.14 -43.65 94.57 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.118 0.567 . . . . 0.0 110.91 177.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -71.32 -35.07 71.11 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.004 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.401 HG21 ' O ' ' A' ' 31' ' ' GLU . 97.1 t -66.74 -45.46 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 122.683 0.393 . . . . 0.0 110.913 177.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.41 ' HB3' ' HB2' ' A' ' 43' ' ' LEU . 23.0 mmt -61.44 -43.98 97.91 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.053 0.541 . . . . 0.0 111.815 178.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 90.3 m -65.64 -39.39 91.39 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.517 177.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -68.34 -36.77 79.74 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.4 0.68 . . . . 0.0 111.946 -177.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.1 mt -80.95 -24.03 38.39 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.0 -177.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.15 24.6 4.13 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.434 174.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -95.57 -33.66 12.31 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 122.481 0.313 . . . . 0.0 110.416 176.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 61.79 32.82 18.06 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 124.711 1.257 . . . . 0.0 112.395 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.41 ' HB2' ' HB3' ' A' ' 36' ' ' MET . 2.4 mp -61.83 124.44 20.76 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 123.505 0.503 . . . . 0.0 110.691 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.1 p -73.05 174.34 8.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.987 -177.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.31 -33.38 75.69 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.106 -177.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.16 -44.5 79.58 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.236 175.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -67.66 -36.7 81.21 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.52 HG22 ' HA ' ' A' ' 33' ' ' ARG . 92.5 t -70.85 -31.12 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.363 178.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.66 -33.75 76.69 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 122.236 0.214 . . . . 0.0 110.863 176.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -69.39 -37.71 77.65 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.122 0.569 . . . . 0.0 111.197 175.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.492 ' HE3' ' HA ' ' A' ' 51' ' ' MET . 2.4 mmt -72.34 -33.75 67.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.712 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.5 mm -70.72 -41.73 77.61 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 O-C-N 123.35 0.406 . . . . 0.0 110.443 176.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -71.92 -22.26 61.5 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -175.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -90.71 -21.14 21.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.733 0.301 . . . . 0.0 111.225 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.79 -19.78 23.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.459 177.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.37 111.6 21.93 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.692 0.758 . . . . 0.0 110.777 -175.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.463 HD12 ' HB2' ' A' ' 70' ' ' GLN . 63.6 mt -79.68 -42.46 22.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.993 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -89.34 -12.07 41.53 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -170.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.53 57.41 8.2 Favored Glycine 0 CA--C 1.536 1.384 0 N-CA-C 114.878 0.711 . . . . 0.0 114.878 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.6 p30 -115.45 -15.99 11.44 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 117.705 0.753 . . . . 0.0 112.267 174.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.5 -6.87 49.93 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 120.83 -0.7 . . . . 0.0 114.651 -178.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.512 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 35.7 mt-30 -138.1 134.02 34.16 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.01 0.905 . . . . 0.0 111.091 177.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.4 t -89.11 105.54 16.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 CA-C-N 114.593 -1.185 . . . . 0.0 110.665 -169.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -83.12 -177.07 6.63 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 121.32 -0.152 . . . . 0.0 110.717 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -50.23 -54.24 22.45 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -176.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.21 -27.89 65.88 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 118.063 0.392 . . . . 0.0 112.011 -175.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -72.97 -34.39 66.44 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.212 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.508 ' HA ' ' HB3' ' A' ' 71' ' ' HIS . 63.6 t80 -83.95 -25.07 30.37 Favored 'General case' 0 C--O 1.209 -1.04 0 C-N-CA 123.544 0.738 . . . . 0.0 111.17 178.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.538 ' HA ' HG22 ' A' ' 12' ' ' ILE . 64.2 t -67.83 -47.77 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-N 118.454 0.57 . . . . 0.0 109.684 172.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.463 ' HB2' HD12 ' A' ' 57' ' ' ILE . 17.2 mm100 -72.4 -21.09 61.32 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 177.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.508 ' HB3' ' HA ' ' A' ' 68' ' ' PHE . 10.6 t-160 -68.25 -50.03 56.7 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.496 0.718 . . . . 0.0 109.291 168.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 57.0 mmm -75.96 -25.56 56.01 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -171.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.3 p -94.97 -7.7 39.09 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.02 174.87 10.49 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.92 0.39 . . . . 0.0 111.192 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt . . . . . 0 C--N 1.321 -0.671 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.87 -172.141 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.476 0.866 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 59.8 tp -118.35 104.22 10.53 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.217 0.532 . . . . 0.0 109.973 175.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.0 ttt -93.14 114.27 26.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.037 175.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -96.65 -173.62 2.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.708 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -72.91 -39.47 66.29 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.819 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.5 p 49.11 75.52 0.15 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.673 1.589 . . . . 0.0 113.315 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -126.18 -12.88 6.28 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.239 168.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.43 ' O ' HG12 ' A' ' 12' ' ' ILE . 5.6 t -87.94 -149.49 0.17 Allowed 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.752 -176.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.38 -19.93 62.44 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.284 1.033 . . . . 0.0 113.018 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -70.85 -32.92 70.09 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.908 0.883 . . . . 0.0 111.379 178.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.32 -25.87 31.1 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.073 178.206 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.497 HG22 ' HA ' ' A' ' 69' ' ' VAL . 22.4 mm -66.46 -23.01 30.8 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.089 176.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.499 ' HG2' ' CE1' ' A' ' 65' ' ' TYR . 98.1 mtt180 -64.23 -38.57 91.52 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.828 0.451 . . . . 0.0 111.731 172.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.434 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 38.9 tt0 -80.18 -27.62 38.9 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.299 179.193 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.84 -26.45 60.59 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.006 0.431 . . . . 0.0 110.741 174.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -71.8 -38.92 70.19 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.861 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -75.92 -14.63 60.26 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -177.057 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.0 t -69.98 -49.05 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 170.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 1.639 ' HD1' ' CD2' ' A' ' 19' ' ' PHE . 53.5 m-85 -77.12 -34.77 56.69 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.277 -1.329 . . . . 0.0 111.968 -172.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -84.34 109.2 17.64 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 172.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.503 ' HZ3' ' HB3' ' A' ' 21' ' ' LYS . 4.8 mmmp? -77.64 -27.04 50.91 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -176.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -103.86 -11.8 17.29 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -174.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.36 37.6 79.97 Favored Glycine 0 CA--C 1.531 1.034 0 CA-C-O 118.987 -0.896 . . . . 0.0 114.82 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -96.85 -18.64 19.41 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.809 1.305 . . . . 0.0 112.167 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.61 14.46 19.65 Favored Glycine 0 C--O 1.221 -0.684 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.283 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 1.636 ' HE2' ' CE1' ' A' ' 26' ' ' TYR . 82.9 m-85 -142.3 130.06 21.61 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.546 0.738 . . . . 0.0 110.747 176.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 53.5 mt -97.42 114.63 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 175.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.4 p -90.61 178.49 6.07 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 178.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.442 ' O ' HG13 ' A' ' 48' ' ' VAL . . . -67.27 -27.5 67.25 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.388 177.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.42 -28.97 52.75 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 122.16 -0.338 . . . . 0.0 111.494 177.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.43 -44.33 25.05 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.495 HD21 HG12 ' A' ' 48' ' ' VAL . 38.2 tp -67.36 -35.64 79.77 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.346 0.404 . . . . 0.0 110.481 177.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.4 ttt-85 -59.47 -44.16 93.07 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.579 0.752 . . . . 0.0 111.59 177.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -65.88 -43.9 86.95 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 123.685 0.615 . . . . 0.0 111.394 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.495 HG22 ' HA ' ' A' ' 19' ' ' PHE . 37.0 t -79.76 -31.26 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 O-C-N 123.179 0.299 . . . . 0.0 111.571 -172.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.1 mmt -64.64 -44.01 91.85 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.688 0.28 . . . . 0.0 111.25 173.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 42' ' ' LYS . 62.9 m -65.26 -32.29 73.88 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.153 175.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -69.55 -33.29 72.55 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.306 0.642 . . . . 0.0 111.678 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.8 mt -81.17 -12.4 59.21 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.57 -1.95 53.15 Favored Glycine 0 C--N 1.336 0.558 0 C-N-CA 121.335 -0.459 . . . . 0.0 112.879 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -82.25 -20.78 36.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 119.421 -0.323 . . . . 0.0 111.7 -178.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 37' ' ' THR . 54.8 pttt 38.71 69.66 0.25 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 126.385 1.874 . . . . 0.0 114.356 177.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.464 ' HG ' ' HB2' ' A' ' 47' ' ' GLU . 6.4 tp -85.29 124.78 32.31 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.491 -1.232 . . . . 0.0 109.04 -176.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.4 p -81.11 175.07 10.97 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.263 0.352 . . . . 0.0 110.915 -177.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -56.65 -38.82 72.68 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -173.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -75.27 -36.0 61.26 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 122.578 0.351 . . . . 0.0 111.15 -177.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.464 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 16.7 mm-40 -73.48 -37.64 65.69 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.787 -178.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.495 HG12 HD21 ' A' ' 32' ' ' LEU . 70.3 t -66.41 -39.49 84.2 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.51 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.614 176.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -56.48 -42.02 77.56 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 123.815 0.697 . . . . 0.0 112.235 178.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.401 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 40.8 mt-10 -77.04 -26.67 53.93 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.815 -178.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 97.8 mmm -76.68 -33.2 58.27 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 117.381 0.082 . . . . 0.0 111.048 173.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.7 mm -65.24 -48.1 84.79 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 O-C-N 123.775 0.672 . . . . 0.0 110.658 176.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.401 ' HG2' ' HA ' ' A' ' 50' ' ' GLU . 16.3 ptm180 -71.72 -23.05 61.56 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -176.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -78.85 -31.19 45.53 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.493 0.317 . . . . 0.0 111.402 175.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.52 -18.89 34.27 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.023 0.44 . . . . 0.0 111.591 177.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -90.82 119.47 31.06 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.738 0.78 . . . . 0.0 110.815 -173.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.4 mt -79.81 -45.37 23.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.307 -177.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 p30 -88.76 -11.48 44.89 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -168.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.99 53.91 10.14 Favored Glycine 0 CA--C 1.535 1.338 0 N-CA-C 114.813 0.685 . . . . 0.0 114.813 -178.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.3 p30 -112.9 -16.2 12.75 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 117.717 0.758 . . . . 0.0 112.009 175.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.48 2.28 67.95 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-O 119.698 -0.501 . . . . 0.0 113.961 -178.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -132.25 130.58 41.12 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 117.832 0.816 . . . . 0.0 109.156 174.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.4 t -96.61 105.46 17.12 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.252 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.427 -170.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.9 p30 -77.18 -171.1 1.92 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 121.112 -0.235 . . . . 0.0 111.283 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.499 ' CE1' ' HG2' ' A' ' 13' ' ' ARG . 62.1 t80 -60.6 -50.36 73.82 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.03 -25.22 61.72 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -175.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -75.32 -33.97 61.2 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.987 0.515 . . . . 0.0 110.763 177.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -74.45 -41.85 60.1 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.934 177.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.497 ' HA ' HG22 ' A' ' 12' ' ' ILE . 79.5 t -62.98 -41.74 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 O-C-N 123.674 0.608 . . . . 0.0 110.97 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -66.7 -33.81 76.46 Favored 'General case' 0 C--O 1.22 -0.498 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -71.73 -32.23 67.52 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 123.657 0.598 . . . . 0.0 110.992 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 76.6 mmm -75.94 -28.5 57.97 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 178.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 73.0 p -102.34 18.78 20.18 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.542 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.65 176.48 6.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.764 0.316 . . . . 0.0 111.457 -175.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.9 tttt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.594 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -78.81 -14.0 59.5 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 173.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.42 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 35.2 mt-10 -71.42 -33.62 69.58 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -175.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -70.48 -30.17 66.9 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 173.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.588 HG21 ' HA ' ' A' ' 69' ' ' VAL . 25.0 mm -79.36 -24.75 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.655 -179.094 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.42 ' HD2' ' HA ' ' A' ' 10' ' ' GLU . 98.8 mtt180 -67.99 -40.43 83.07 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.1 0.476 . . . . 0.0 110.679 173.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.486 ' HG3' HH21 ' A' ' 17' ' ' ARG . 39.8 tt0 -71.34 -37.33 71.71 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.884 176.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.31 84.86 Favored 'General case' 0 C--O 1.224 -0.28 0 O-C-N 123.116 0.26 . . . . 0.0 111.202 176.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -64.73 -36.1 83.21 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.436 0.694 . . . . 0.0 111.921 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.486 HH21 ' HG3' ' A' ' 14' ' ' GLU . 0.3 OUTLIER -80.16 -15.0 58.02 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -177.915 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 t -79.54 -49.97 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.716 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 170.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.549 ' HA ' HG21 ' A' ' 35' ' ' VAL . 31.9 m-85 -67.78 -26.23 66.0 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.204 -1.362 . . . . 0.0 112.354 -173.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -95.15 102.43 14.23 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.503 0.668 . . . . 0.0 109.309 168.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.11 -29.33 48.9 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 -179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -93.93 -12.08 29.57 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -173.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.22 38.68 58.85 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-O 119.223 -0.765 . . . . 0.0 114.897 177.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -101.58 -18.08 16.08 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.744 1.272 . . . . 0.0 112.043 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.19 14.2 42.9 Favored Glycine 0 C--O 1.223 -0.538 0 C-N-CA 121.091 -0.576 . . . . 0.0 113.015 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.564 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 74.8 m-85 -137.75 130.21 29.5 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.638 0.775 . . . . 0.0 109.402 176.511 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.0 mt -95.15 111.31 25.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.305 0.574 . . . . 0.0 109.587 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.8 m -90.56 174.87 7.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.256 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.08 -28.43 68.18 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.28 -31.43 69.93 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.9 0.381 . . . . 0.0 111.667 177.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -83.74 -43.62 15.29 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.557 -175.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.4 tp -63.89 -39.0 93.17 Favored 'General case' 0 C--O 1.223 -0.325 0 O-C-N 123.652 0.595 . . . . 0.0 110.64 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -61.57 -45.52 93.78 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 123.71 0.804 . . . . 0.0 111.23 176.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -65.42 -42.96 91.96 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 124.068 0.855 . . . . 0.0 111.14 -176.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.549 HG21 ' HA ' ' A' ' 19' ' ' PHE . 57.9 t -75.13 -29.54 21.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 O-C-N 123.388 0.43 . . . . 0.0 111.481 -176.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.8 mmt -64.94 -38.45 91.0 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 117.691 0.223 . . . . 0.0 110.983 172.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.8 m -69.17 -30.71 68.98 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 123.624 0.578 . . . . 0.0 110.602 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -73.91 -18.48 60.9 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.764 174.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 87.2 mt -88.67 -14.47 37.28 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 120.816 0.341 . . . . 0.0 110.654 175.029 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.59 -0.5 24.77 Favored Glycine 0 C--N 1.338 0.671 0 CA-C-N 116.136 -0.484 . . . . 0.0 113.468 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -113.5 133.07 55.43 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-O 121.428 0.632 . . . . 0.0 109.936 -174.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -103.94 105.03 15.09 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -175.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.421 ' HG ' ' HB2' ' A' ' 47' ' ' GLU . 3.3 tp -106.29 132.57 52.18 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.667 -174.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.0 p -81.44 175.86 10.19 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.715 -176.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -55.8 -45.19 78.32 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.296 1.038 . . . . 0.0 112.043 -176.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.492 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 8.7 mp0 -70.22 -39.02 75.34 Favored 'General case' 0 C--O 1.223 -0.342 0 O-C-N 123.976 0.798 . . . . 0.0 111.586 -177.216 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.421 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 50.9 mt-10 -71.58 -37.32 71.03 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.382 0.426 . . . . 0.0 112.072 -176.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.3 t -71.62 -35.77 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.51 -36.46 84.28 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 123.445 0.466 . . . . 0.0 110.987 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 24.0 mm-40 -61.82 -38.72 89.21 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.631 0.582 . . . . 0.0 111.415 173.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 57.2 mtp -77.51 -29.89 52.71 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.152 0.426 . . . . 0.0 112.152 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.3 mm -69.23 -45.66 78.95 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -72.79 -21.75 60.94 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 120.764 0.316 . . . . 0.0 111.455 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.424 ' HG2' ' CE1' ' A' ' 71' ' ' HIS . 28.3 tt0 -74.38 -40.27 62.17 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.889 0.876 . . . . 0.0 110.809 175.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.95 -29.7 21.86 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -174.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -82.2 118.53 23.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.178 0.513 . . . . 0.0 110.481 -174.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.469 HD11 ' HB2' ' A' ' 70' ' ' GLN . 90.5 mt -78.3 -40.3 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.307 -174.168 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.3 p30 -90.89 -12.24 36.74 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -172.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.73 45.02 55.18 Favored Glycine 0 CA--C 1.539 1.56 0 N-CA-C 114.742 0.657 . . . . 0.0 114.742 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.7 p30 -102.05 -15.13 16.86 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 117.734 0.767 . . . . 0.0 111.156 175.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.45 -6.99 59.55 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-N 116.244 -0.435 . . . . 0.0 113.854 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.564 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 27.6 mt-30 -131.96 131.31 42.51 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-O 121.894 0.854 . . . . 0.0 110.471 178.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.92 101.44 12.11 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.281 -167.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -85.49 -169.85 2.84 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.89 176.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -57.22 -57.41 12.71 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -164.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.74 -34.7 76.28 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -177.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.426 ' HA ' HD12 ' A' ' 57' ' ' ILE . 44.7 mt-10 -69.08 -36.92 78.14 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 123.787 0.835 . . . . 0.0 111.17 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -74.03 -39.59 63.45 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.551 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.588 ' HA ' HG21 ' A' ' 12' ' ' ILE . 74.1 t -66.58 -49.21 76.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-O 119.094 -0.479 . . . . 0.0 111.758 -176.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.469 ' HB2' HD11 ' A' ' 57' ' ' ILE . 78.8 mm-40 -61.34 -36.09 79.22 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.677 0.611 . . . . 0.0 111.847 -177.648 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.424 ' CE1' ' HG2' ' A' ' 54' ' ' GLU . 61.4 t60 -74.83 -43.15 56.12 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 123.696 0.623 . . . . 0.0 111.22 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 53.4 mmm -67.29 -42.47 83.72 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -176.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 47.5 p . . . . . 0 CA--C 1.536 0.433 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -173.658 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.458 ' O ' HG12 ' A' ' 12' ' ' ILE . 10.8 p . . . . . 0 N--CA 1.443 -0.806 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -78.2 -25.04 46.92 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.384 0.674 . . . . 0.0 110.656 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -71.98 -26.14 62.13 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.136 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -82.95 -23.18 33.55 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.18 176.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.552 HG21 ' HA ' ' A' ' 69' ' ' VAL . 16.9 mm -73.55 -22.71 19.06 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.642 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.285 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -60.82 -41.72 96.29 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.811 0.444 . . . . 0.0 111.345 171.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -66.23 -41.29 90.25 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.034 0.934 . . . . 0.0 111.121 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.55 -32.46 68.15 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.413 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -71.46 -41.21 69.7 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 122.965 0.506 . . . . 0.0 111.153 -177.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -74.38 -24.87 59.2 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 123.318 0.386 . . . . 0.0 111.914 -175.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 p -88.22 -20.13 7.48 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 CA-C-O 120.668 0.27 . . . . 0.0 110.726 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -86.4 -35.02 19.99 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.48 176.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -80.36 106.43 12.36 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 173.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 69.5 mmtt -78.25 -28.45 47.75 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -177.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -96.81 -11.41 24.93 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -174.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.96 46.54 72.51 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 114.778 0.671 . . . . 0.0 114.778 177.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 -103.29 -11.84 17.67 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.327 1.064 . . . . 0.0 111.645 177.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.0 23.26 25.65 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 121.407 -0.425 . . . . 0.0 112.349 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.57 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 65.1 m-85 -148.72 130.51 15.11 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 124.119 0.968 . . . . 0.0 109.56 -177.139 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.2 mt -101.09 103.2 14.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 173.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.419 ' HB3' ' HG2' ' A' ' 62' ' ' GLN . 73.9 p -81.86 177.46 8.86 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 120.802 0.334 . . . . 0.0 110.711 178.34 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.532 ' HA ' HG13 ' A' ' 52' ' ' ILE . . . -70.34 -27.44 64.36 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.695 179.462 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.89 -29.88 63.51 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 120.629 0.252 . . . . 0.0 111.193 176.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -75.57 -45.57 37.04 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.895 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.1 tp -67.51 -32.8 73.86 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 123.377 0.423 . . . . 0.0 110.801 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.51 ' HA ' HG21 ' A' ' 48' ' ' VAL . 68.1 ttt180 -66.22 -36.12 82.21 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.029 0.532 . . . . 0.0 110.612 176.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -72.03 -39.18 69.33 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.572 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 99.6 t -68.38 -36.48 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 122.519 0.327 . . . . 0.0 111.016 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.4 mmt -68.82 -41.1 79.07 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 53.8 m -66.05 -36.76 84.09 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 120.937 0.399 . . . . 0.0 110.516 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -63.86 -44.52 92.85 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.225 1.01 . . . . 0.0 111.984 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -76.71 -4.12 41.63 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.333 0.653 . . . . 0.0 112.582 -176.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.27 -3.36 72.49 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.413 -0.422 . . . . 0.0 112.896 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -71.64 -37.9 70.79 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.097 0.559 . . . . 0.0 110.918 -174.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mttm 58.67 42.14 20.87 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 124.551 1.157 . . . . 0.0 111.516 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.4 tp -69.25 132.33 46.3 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.053 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.4 p -76.93 167.98 20.89 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.656 0.597 . . . . 0.0 111.655 -169.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.48 -36.67 74.1 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.49 0.716 . . . . 0.0 111.703 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 34.5 mt-10 -68.43 -48.56 64.28 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.036 178.354 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -67.91 -35.23 78.1 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.135 0.574 . . . . 0.0 112.299 -177.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.51 HG21 ' HA ' ' A' ' 33' ' ' ARG . 53.0 t -69.23 -39.77 79.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 122.762 0.425 . . . . 0.0 110.645 177.509 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -63.7 -34.71 78.47 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 123.438 0.461 . . . . 0.0 110.934 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 14.0 mm-40 -62.53 -41.11 98.65 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.638 0.586 . . . . 0.0 111.226 175.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 97.8 mmm -72.69 -33.83 66.76 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.361 0.413 . . . . 0.0 111.675 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.532 HG13 ' HA ' ' A' ' 29' ' ' ALA . 27.7 mm -68.34 -47.95 75.37 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.13 0 O-C-N 123.537 0.523 . . . . 0.0 110.774 177.158 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.1 ptt85 -70.95 -21.68 62.3 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -78.72 -33.76 46.49 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.034 0.934 . . . . 0.0 110.915 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.31 -28.66 22.13 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.671 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -83.91 124.58 31.15 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.568 -174.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 79.5 mt -80.2 -43.32 22.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 114.308 -1.315 . . . . 0.0 111.204 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -91.55 -11.43 37.33 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -170.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.52 48.91 33.83 Favored Glycine 0 CA--C 1.535 1.306 0 N-CA-C 114.559 0.584 . . . . 0.0 114.559 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.9 p30 -105.73 -16.01 14.8 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 117.747 0.774 . . . . 0.0 112.406 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.86 -7.8 57.57 Favored Glycine 0 CA--C 1.524 0.628 0 C-N-CA 121.018 -0.61 . . . . 0.0 113.928 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.57 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 32.2 mt-30 -131.22 131.29 43.84 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-O 122.169 0.985 . . . . 0.0 111.06 175.334 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.2 t -101.6 101.57 12.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 CA-C-N 113.619 -1.628 . . . . 0.0 108.638 -172.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -83.62 -172.0 3.9 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 119.083 -0.484 . . . . 0.0 111.132 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.402 ' O ' HG23 ' A' ' 69' ' ' VAL . 67.7 t80 -55.43 -58.62 6.98 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -165.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.496 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 1.6 pm0 -58.98 -40.96 86.38 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.808 0.843 . . . . 0.0 112.645 -178.473 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.84 -39.0 90.37 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.849 0.86 . . . . 0.0 111.777 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -73.57 -34.12 64.98 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.488 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.552 ' HA ' HG21 ' A' ' 12' ' ' ILE . 69.9 t -65.36 -43.98 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-O 119.212 -0.423 . . . . 0.0 110.641 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 82.1 mm-40 -61.99 -39.47 92.33 Favored 'General case' 0 C--O 1.22 -0.47 0 O-C-N 123.635 0.584 . . . . 0.0 111.908 -174.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -81.06 -31.18 34.57 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 123.211 0.32 . . . . 0.0 111.395 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 51.5 mmm -82.51 -7.91 59.63 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.0 p . . . . . 0 CA--C 1.535 0.394 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 179.045 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.464 ' O ' HG12 ' A' ' 12' ' ' ILE . 50.6 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.144 0.497 . . . . 0.0 112.125 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 1.8 mp0 -71.24 -24.13 62.13 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 114.54 -1.209 . . . . 0.0 111.723 -173.174 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -65.34 -37.43 87.05 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.493 0.717 . . . . 0.0 111.38 174.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -70.75 -35.28 72.58 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.56 HG21 ' HA ' ' A' ' 69' ' ' VAL . 27.1 mm -68.65 -27.92 38.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.895 -178.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 95.9 mtt180 -68.39 -37.98 80.88 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.733 0.413 . . . . 0.0 111.251 173.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -70.63 -36.69 73.59 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.636 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.32 -42.36 83.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.799 174.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -60.53 -36.87 79.45 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.936 0.894 . . . . 0.0 112.421 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.68 -16.02 58.78 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -175.067 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -79.67 -44.09 23.26 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 171.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.511 ' HA ' HG21 ' A' ' 35' ' ' VAL . 41.7 m-85 -72.13 -31.25 65.83 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 114.561 -1.199 . . . . 0.0 112.423 -171.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -92.26 109.29 20.67 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 169.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.614 ' HE2' HG22 ' A' ' 35' ' ' VAL . 55.3 mttm -78.22 -27.0 47.63 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -99.22 -11.63 21.14 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -175.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.6 37.16 84.67 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-O 119.324 -0.709 . . . . 0.0 114.802 176.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.42 -18.9 20.33 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.407 1.103 . . . . 0.0 111.525 -177.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.443 ' O ' ' HA ' ' A' ' 64' ' ' ASN . . . 105.17 6.59 39.15 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.856 -0.688 . . . . 0.0 113.042 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.442 ' CE1' ' HB3' ' A' ' 64' ' ' ASN . 73.2 m-85 -136.74 130.6 32.24 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 122.809 0.443 . . . . 0.0 110.326 177.017 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.4 mt -101.81 104.01 15.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.7 m -79.89 177.31 9.0 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.073 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.95 -25.8 62.89 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -176.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.81 -30.64 35.84 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 122.197 -0.314 . . . . 0.0 111.225 174.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 35' ' ' VAL . 41.6 mt-10 -71.0 -51.15 27.15 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 122.628 0.371 . . . . 0.0 111.532 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.508 HD23 HG13 ' A' ' 48' ' ' VAL . 30.2 tp -62.51 -37.09 84.7 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 124.199 0.937 . . . . 0.0 110.544 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.496 ' HA ' HG21 ' A' ' 48' ' ' VAL . 18.1 ttp85 -61.16 -43.18 99.28 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 124.01 0.819 . . . . 0.0 112.418 176.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -67.84 -39.8 83.79 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 124.075 0.859 . . . . 0.0 109.94 -175.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.614 HG22 ' HE2' ' A' ' 21' ' ' LYS . 21.6 t -75.07 -33.03 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 O-C-N 123.555 0.534 . . . . 0.0 111.262 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.421 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 21.1 mmt -61.51 -38.6 87.94 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 120.796 0.331 . . . . 0.0 111.091 174.3 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.406 HG23 ' HG2' ' A' ' 42' ' ' LYS . 90.2 m -65.18 -36.57 84.63 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.453 174.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -72.26 -28.54 63.2 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.041 0.537 . . . . 0.0 111.911 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 61.1 mt -79.36 -6.97 57.97 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.153 0.581 . . . . 0.0 111.435 177.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.56 -2.49 80.56 Favored Glycine 0 C--N 1.336 0.567 0 CA-C-N 116.329 -0.396 . . . . 0.0 112.993 177.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -79.97 -39.49 30.02 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 122.214 0.205 . . . . 0.0 110.736 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.406 ' HG2' HG23 ' A' ' 37' ' ' THR . 96.0 mttt 56.94 64.81 1.54 Allowed 'General case' 0 N--CA 1.472 0.651 0 O-C-N 124.928 1.393 . . . . 0.0 112.631 172.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.457 ' HB3' HG23 ' A' ' 48' ' ' VAL . 3.9 mp -80.75 138.43 36.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.765 176.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.4 p -75.33 168.86 19.19 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 123.352 0.407 . . . . 0.0 110.127 177.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -61.5 -34.72 75.97 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -173.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -74.8 -35.32 62.48 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -68.81 -39.98 79.78 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.91 0.386 . . . . 0.0 111.218 176.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.508 HG13 HD23 ' A' ' 32' ' ' LEU . 89.2 t -67.54 -34.93 71.37 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.39 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.376 176.238 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -66.66 -28.51 68.52 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 122.489 0.316 . . . . 0.0 111.32 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.66 -39.04 80.83 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.021 0.529 . . . . 0.0 110.925 172.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 98.2 mmm -72.67 -29.65 63.6 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.752 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 48' ' ' VAL . 28.7 mm -67.96 -50.6 57.78 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 C-N-CA 123.509 0.724 . . . . 0.0 110.729 176.392 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -69.56 -21.53 63.62 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.35 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.55 -39.89 44.33 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 120.979 0.419 . . . . 0.0 110.444 175.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.14 -28.84 31.96 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.07 121.88 26.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.331 0.586 . . . . 0.0 111.548 -172.573 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.481 HD11 ' HG3' ' A' ' 70' ' ' GLN . 83.9 mt -79.79 -47.75 21.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.718 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -89.98 -11.7 40.87 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -167.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.58 54.72 9.65 Favored Glycine 0 CA--C 1.534 1.245 0 N-CA-C 114.596 0.599 . . . . 0.0 114.596 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.3 p30 -111.48 -15.33 13.56 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 117.227 0.513 . . . . 0.0 111.533 173.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.03 6.42 69.37 Favored Glycine 0 CA--C 1.528 0.867 0 CA-C-N 116.026 -0.534 . . . . 0.0 113.585 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.418 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 3.6 mt-30 -134.36 130.66 37.24 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 176.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.7 t -97.69 110.06 24.71 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.16 -169.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.443 ' HA ' ' O ' ' A' ' 25' ' ' GLY . 28.4 p30 -78.79 -170.68 2.24 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.733 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -60.65 -53.08 61.75 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 8.1 pt-20 -70.93 -30.95 67.41 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -175.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -66.62 -36.6 82.97 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.133 0.573 . . . . 0.0 110.967 176.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -72.12 -39.63 68.72 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.703 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.56 ' HA ' HG21 ' A' ' 12' ' ' ILE . 71.1 t -63.95 -41.27 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 123.579 0.55 . . . . 0.0 111.072 -178.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.481 ' HG3' HD11 ' A' ' 57' ' ' ILE . 86.2 mm-40 -62.61 -38.83 91.73 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -74.95 -33.57 61.95 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 120.665 0.269 . . . . 0.0 111.228 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.518 ' HB3' HD12 ' A' ' 12' ' ' ILE . 78.4 mmm -84.54 -13.07 52.88 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -174.036 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.5 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.506 0.193 . . . . 0.0 111.345 176.761 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.518 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 15.5 pt-20 -69.56 -21.68 63.61 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 123.418 0.449 . . . . 0.0 110.941 174.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -58.12 -42.02 84.89 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 124.399 1.08 . . . . 0.0 111.76 175.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -65.93 -28.95 69.3 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.569 0.748 . . . . 0.0 112.022 177.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.601 HG21 ' HA ' ' A' ' 69' ' ' VAL . 17.1 mm -85.14 -22.56 7.51 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.607 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.876 -174.002 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 18.9 mtp180 -65.4 -39.61 92.41 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.902 0.481 . . . . 0.0 111.258 178.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -79.97 -25.22 40.45 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.068 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.413 ' O ' ' HD2' ' A' ' 19' ' ' PHE . . . -78.81 -30.03 45.14 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 122.165 -0.334 . . . . 0.0 111.043 176.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -65.94 -37.29 85.65 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.792 0.837 . . . . 0.0 111.718 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -76.89 -15.62 59.64 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 -175.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -84.67 -32.82 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 176.162 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.413 ' HD2' ' O ' ' A' ' 15' ' ' ALA . 37.3 m-85 -82.1 -27.64 32.73 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.513 -177.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -84.66 110.01 18.43 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 170.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.503 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 5.0 mmpt? -73.82 -24.07 59.75 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -176.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -113.16 -11.76 13.24 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -172.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.25 46.12 58.66 Favored Glycine 0 CA--C 1.533 1.212 0 CA-C-O 119.415 -0.658 . . . . 0.0 114.499 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 -102.9 -13.32 16.99 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 118.318 1.059 . . . . 0.0 112.011 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.63 19.55 26.99 Favored Glycine 0 C--O 1.223 -0.541 0 C-N-CA 121.157 -0.544 . . . . 0.0 112.378 -178.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.438 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 72.3 m-85 -144.7 130.1 18.81 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 123.653 0.781 . . . . 0.0 109.962 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.9 mt -102.34 104.22 16.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 175.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.2 p -85.31 177.28 7.88 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.875 0.369 . . . . 0.0 110.596 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 33' ' ' ARG . . . -72.54 -21.69 61.13 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.865 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.34 -33.9 48.84 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 120.592 0.234 . . . . 0.0 110.598 175.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -73.59 -48.55 31.94 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.126 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.527 HD23 HG13 ' A' ' 48' ' ' VAL . 33.4 tp -66.19 -31.44 72.28 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.796 0.685 . . . . 0.0 110.94 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.42 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 7.7 ttp180 -63.91 -44.47 92.85 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.607 0.567 . . . . 0.0 110.559 175.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -69.71 -36.59 76.03 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.244 -176.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.425 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 95.6 t -67.13 -43.99 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 123.428 0.455 . . . . 0.0 110.999 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.531 ' HG3' HD22 ' A' ' 43' ' ' LEU . 25.3 mmt -69.54 -34.07 73.69 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.355 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.43 HG23 ' HG2' ' A' ' 42' ' ' LYS . 61.8 m -71.62 -33.92 69.38 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.96 176.389 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -64.65 -35.91 82.56 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.488 0.715 . . . . 0.0 111.205 173.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 82.3 mt -74.91 -6.5 49.52 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.826 177.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.14 1.23 82.11 Favored Glycine 0 C--N 1.34 0.765 0 CA-C-N 116.587 -0.279 . . . . 0.0 112.982 175.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -83.92 -36.63 23.17 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.43 ' HG2' HG23 ' A' ' 37' ' ' THR . 1.2 tmtp? 61.38 84.87 0.13 Allowed 'General case' 0 C--N 1.343 0.303 0 O-C-N 125.389 1.681 . . . . 0.0 109.975 177.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.531 HD22 ' HG3' ' A' ' 36' ' ' MET . 1.2 tp -87.36 129.13 35.14 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 174.507 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.8 p -78.53 170.73 16.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 123.378 0.424 . . . . 0.0 110.688 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.95 -31.09 70.65 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -75.08 -44.99 44.31 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.168 0.587 . . . . 0.0 111.424 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.438 ' HB3' ' HG ' ' A' ' 43' ' ' LEU . 11.8 mm-40 -62.55 -37.29 85.57 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.496 0.719 . . . . 0.0 112.077 177.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.527 HG13 HD23 ' A' ' 32' ' ' LEU . 85.9 t -70.87 -39.51 75.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.51 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.821 177.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -62.12 -38.1 87.65 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 122.795 0.438 . . . . 0.0 111.962 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -67.93 -25.89 65.69 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.047 0.539 . . . . 0.0 112.28 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 96.8 mmm -82.29 -40.12 21.96 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 122.467 0.307 . . . . 0.0 111.189 174.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 24.5 mm -64.31 -43.83 97.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 O-C-N 124.068 0.855 . . . . 0.0 111.325 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.501 ' HG3' ' HG3' ' A' ' 54' ' ' GLU . 25.0 ptt180 -63.46 -31.64 72.86 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 123.423 0.452 . . . . 0.0 112.106 -178.196 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.501 ' HG3' ' HG3' ' A' ' 53' ' ' ARG . 44.3 mt-10 -94.06 -13.9 26.38 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.007 0.523 . . . . 0.0 111.931 -175.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.92 -29.3 16.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.691 0.281 . . . . 0.0 110.485 174.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.76 114.85 22.36 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.709 -178.148 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.3 mt -80.2 -48.37 20.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 114.489 -1.232 . . . . 0.0 110.497 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -82.06 -11.94 58.53 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -168.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.92 47.61 38.01 Favored Glycine 0 CA--C 1.532 1.14 0 N-CA-C 115.23 0.852 . . . . 0.0 115.23 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.8 p30 -104.82 -16.4 14.92 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 118.31 1.055 . . . . 0.0 110.943 172.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.07 -6.59 62.0 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 114.516 0.566 . . . . 0.0 114.516 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.438 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 36.1 mt-30 -129.26 131.45 47.01 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-O 121.919 0.866 . . . . 0.0 110.085 177.113 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 44.7 t -89.73 102.47 13.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 CA-C-N 114.528 -1.214 . . . . 0.0 110.745 -168.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -82.74 -175.33 5.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.664 177.086 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.415 ' O ' HG23 ' A' ' 69' ' ' VAL . 62.4 t80 -57.77 -55.63 32.37 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -166.402 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -59.75 -33.55 71.82 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.792 0.837 . . . . 0.0 112.604 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -71.44 -38.5 71.34 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 123.785 0.834 . . . . 0.0 111.615 -178.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -72.96 -36.38 67.12 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.533 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.601 ' HA ' HG21 ' A' ' 12' ' ' ILE . 92.3 t -63.93 -44.07 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 122.649 0.38 . . . . 0.0 111.119 178.119 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -64.16 -32.75 74.44 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -80.39 -31.55 37.72 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 120.719 0.295 . . . . 0.0 111.043 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 69.1 mmm -82.59 -24.88 33.71 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -176.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.2 p . . . . . 0 C--N 1.327 -0.412 0 N-CA-C 111.456 0.169 . . . . 0.0 111.456 179.939 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.449 -0.523 0 CA-C-O 120.794 0.331 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.476 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 25.9 mt-10 -69.32 -16.29 63.51 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.042 0.937 . . . . 0.0 111.674 -177.053 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -65.96 -36.99 84.84 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.566 0.746 . . . . 0.0 112.119 175.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -69.17 -34.09 74.41 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.119 0.568 . . . . 0.0 110.325 175.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.618 HG21 ' HA ' ' A' ' 69' ' ' VAL . 14.2 mm -74.77 -22.66 17.38 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 CA-C-N 114.843 -1.071 . . . . 0.0 111.016 -176.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 81.4 mtp180 -63.77 -40.94 97.92 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.85 0.46 . . . . 0.0 111.318 173.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -81.47 -25.98 35.61 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.896 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.65 -24.01 60.99 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.848 0.356 . . . . 0.0 110.823 174.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -70.7 -25.16 62.83 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.59 175.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -78.22 -24.69 46.9 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.243 -177.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -79.25 -38.29 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-O 121.146 0.498 . . . . 0.0 109.768 177.516 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -83.96 -30.61 26.1 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.478 -174.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -86.88 109.94 19.65 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 174.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -77.52 -28.54 52.05 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -178.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -102.13 -11.92 18.46 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -175.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.97 42.61 84.92 Favored Glycine 0 CA--C 1.535 1.294 0 N-CA-C 114.925 0.73 . . . . 0.0 114.925 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -104.01 -13.77 16.19 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 118.438 1.119 . . . . 0.0 113.051 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.71 18.07 24.09 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.274 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -144.05 130.69 20.13 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 123.75 0.82 . . . . 0.0 109.945 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.9 mt -102.74 104.1 16.04 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 172.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.6 m -80.39 173.86 12.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.078 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.0 -37.06 81.01 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.627 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.47 -29.59 69.74 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -75.55 -49.91 17.22 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 122.648 0.379 . . . . 0.0 111.628 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.415 ' O ' ' HG2' ' A' ' 36' ' ' MET . 23.9 tp -64.41 -37.14 86.48 Favored 'General case' 0 C--O 1.221 -0.44 0 O-C-N 123.919 0.762 . . . . 0.0 110.646 -178.059 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.7 ttp85 -62.61 -44.25 96.78 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.876 0.735 . . . . 0.0 111.02 177.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -63.44 -41.82 98.67 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 124.596 1.185 . . . . 0.0 109.952 -177.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.33 -46.28 87.46 Favored 'Isoleucine or valine' 0 C--N 1.346 0.414 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.081 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.415 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 24.2 mmt -61.1 -39.53 90.33 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -178.591 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.575 ' HA ' ' HA ' ' A' ' 42' ' ' LYS . 29.1 m -70.24 -30.85 68.02 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 122.894 0.478 . . . . 0.0 111.486 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -77.42 -28.32 52.58 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.2 mt -73.87 -17.58 61.03 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.165 0.586 . . . . 0.0 111.407 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.81 -2.74 58.58 Favored Glycine 0 CA--C 1.505 -0.58 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.567 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -72.9 -36.1 67.22 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.575 ' HA ' ' HA ' ' A' ' 37' ' ' THR . 44.8 tttp 54.21 68.51 0.84 Allowed 'General case' 0 C--N 1.352 0.685 0 O-C-N 125.266 1.604 . . . . 0.0 110.634 174.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.471 HD23 HG22 ' A' ' 48' ' ' VAL . 10.7 tp -93.06 130.08 38.79 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 114.998 -1.001 . . . . 0.0 108.72 -175.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.89 163.21 23.55 Favored 'General case' 0 C--O 1.222 -0.371 0 O-C-N 123.492 0.495 . . . . 0.0 110.128 -173.349 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -50.75 -41.56 56.74 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.136 1.374 . . . . 0.0 114.406 -174.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 44.2 mt-10 -77.25 -29.24 53.92 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -79.47 -30.25 42.03 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.471 0.308 . . . . 0.0 111.296 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.471 HG22 HD23 ' A' ' 43' ' ' LEU . 66.3 t -75.27 -31.41 24.2 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.591 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 173.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -57.5 -40.14 78.02 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.271 0.628 . . . . 0.0 111.126 173.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 59.4 mt-10 -72.76 -38.47 67.34 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.362 176.351 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.7 mmm -69.24 -26.52 64.83 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.1 mm -69.43 -52.12 35.78 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.099 0 O-C-N 123.793 0.683 . . . . 0.0 110.772 173.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.86 -25.14 55.92 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -173.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.86 -8.78 59.49 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 121.143 0.496 . . . . 0.0 111.111 173.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.72 -15.05 14.85 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.302 0.641 . . . . 0.0 111.382 174.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -99.41 121.73 41.54 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.485 0.66 . . . . 0.0 110.021 -171.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.3 mt -79.49 -42.77 23.25 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.155 -175.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -92.49 -11.71 33.91 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -171.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.32 58.56 7.09 Favored Glycine 0 CA--C 1.535 1.339 0 N-CA-C 114.888 0.715 . . . . 0.0 114.888 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.4 p30 -114.74 -16.47 11.78 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 117.976 0.888 . . . . 0.0 112.625 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.08 -8.07 60.76 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 121.136 -0.554 . . . . 0.0 114.214 -176.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -130.44 131.95 45.47 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 122.224 1.012 . . . . 0.0 110.587 175.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 65.1 t -92.82 109.67 21.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 CA-C-N 114.055 -1.43 . . . . 0.0 108.785 -171.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.52 -174.54 2.09 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.92 -178.5 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -64.74 -44.52 89.87 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.877 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -61.67 -36.67 81.53 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 122.964 0.505 . . . . 0.0 112.266 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -78.85 -27.12 44.12 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 123.221 0.608 . . . . 0.0 111.592 -177.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -71.4 -44.0 65.75 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.038 175.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.618 ' HA ' HG21 ' A' ' 12' ' ' ILE . 86.2 t -64.84 -43.76 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 O-C-N 123.787 0.68 . . . . 0.0 111.383 -177.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -67.35 -27.26 66.98 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.5 -20.06 25.61 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 120.968 0.413 . . . . 0.0 111.783 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 42.2 mmm -91.84 -19.33 22.64 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.179 -0.326 . . . . 0.0 111.625 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.5 p . . . . . 0 CA--C 1.536 0.413 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.696 176.528 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.8 p . . . . . 0 C--O 1.238 0.448 0 CA-C-O 120.625 0.25 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 15.7 pt-20 -69.6 -16.64 63.43 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.089 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -64.73 -38.16 90.04 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 123.394 0.678 . . . . 0.0 111.166 176.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -72.11 -30.92 65.55 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.522 176.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.625 HG21 ' HA ' ' A' ' 69' ' ' VAL . 24.6 mm -75.25 -23.93 17.31 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.048 -177.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 79.4 mtm180 -63.33 -41.56 98.91 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 122.503 0.321 . . . . 0.0 111.074 176.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -69.24 -41.74 76.56 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 123.804 0.69 . . . . 0.0 110.669 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.446 ' O ' ' HD1' ' A' ' 19' ' ' PHE . . . -64.4 -33.67 76.41 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 124.041 0.838 . . . . 0.0 111.696 178.561 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -63.52 -36.09 82.63 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.012 0.525 . . . . 0.0 111.45 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 55.8 mtm180 -77.96 -15.66 58.79 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -176.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -83.32 -37.82 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 173.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.446 ' HD1' ' O ' ' A' ' 15' ' ' ALA . 32.0 m-85 -77.86 -32.21 51.92 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.043 -0.98 . . . . 0.0 112.088 -174.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -89.27 107.25 18.95 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-O 121.405 0.622 . . . . 0.0 109.387 174.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 71.8 mmtt -78.39 -33.33 48.91 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -93.84 -11.85 30.27 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -171.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.14 30.98 60.12 Favored Glycine 0 CA--C 1.537 1.452 0 N-CA-C 115.25 0.86 . . . . 0.0 115.25 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -94.94 -15.58 23.49 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 118.776 1.288 . . . . 0.0 112.553 -178.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.34 16.37 40.62 Favored Glycine 0 CA--C 1.522 0.47 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.765 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.6 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 69.4 m-85 -142.78 130.3 21.26 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 123.41 0.684 . . . . 0.0 110.079 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.8 mt -95.68 113.12 29.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 176.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.7 p -91.49 176.72 6.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.29 177.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.0 -28.22 64.27 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 122.7 0.4 . . . . 0.0 111.916 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.54 -32.15 65.87 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.095 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -77.08 -41.55 41.77 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.629 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.517 HD23 HG13 ' A' ' 48' ' ' VAL . 38.2 tp -69.13 -34.53 75.18 Favored 'General case' 0 C--O 1.223 -0.341 0 O-C-N 124.051 0.844 . . . . 0.0 111.103 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -73.13 -37.87 66.48 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -62.23 -50.46 71.65 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.791 0.682 . . . . 0.0 110.82 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.478 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 9.4 p -73.73 -33.08 37.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 O-C-N 123.679 0.612 . . . . 0.0 112.048 -173.342 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.4 mmt -66.19 -39.54 89.75 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.368 0.531 . . . . 0.0 111.262 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.625 HG23 ' HG2' ' A' ' 42' ' ' LYS . 90.4 m -65.56 -35.92 82.26 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.061 176.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -71.19 -37.39 72.15 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 178.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 87.8 mt -69.81 -28.19 65.51 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.562 0.539 . . . . 0.0 111.818 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.18 3.3 17.53 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.344 178.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -80.52 -50.82 9.52 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 122.537 0.335 . . . . 0.0 110.172 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.625 ' HG2' HG23 ' A' ' 37' ' ' THR . 62.2 mttp 57.86 81.96 0.14 Allowed 'General case' 0 N--CA 1.471 0.588 0 O-C-N 125.224 1.578 . . . . 0.0 111.175 -176.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.434 ' HG ' ' HB2' ' A' ' 47' ' ' GLU . 8.4 tp -97.64 141.8 30.22 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.871 -1.059 . . . . 0.0 108.872 -175.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -77.84 170.42 16.63 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 110.467 -0.198 . . . . 0.0 110.467 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -67.39 -32.27 73.06 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 -177.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -69.54 -39.9 77.2 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.273 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 51' ' ' MET . 51.6 mt-10 -75.92 -35.87 59.6 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.981 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.517 HG13 HD23 ' A' ' 32' ' ' LEU . 45.3 t -66.52 -37.03 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 123.005 0.522 . . . . 0.0 110.481 176.433 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -57.64 -43.33 84.77 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 123.623 0.577 . . . . 0.0 111.34 173.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.96 -36.65 85.07 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.27 0.628 . . . . 0.0 112.273 178.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.436 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 88.9 mmm -77.95 -27.1 49.2 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-O 119.791 -0.147 . . . . 0.0 111.083 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.4 mm -72.52 -44.84 60.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.781 0 C-N-CA 122.955 0.502 . . . . 0.0 110.759 176.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -73.42 -21.93 60.35 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -83.16 -33.35 26.25 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 120.839 0.352 . . . . 0.0 110.162 176.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.47 -32.92 54.7 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.76 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -85.7 109.56 18.7 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 122.089 0.947 . . . . 0.0 110.955 -174.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.5 mt -79.65 -35.92 17.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 114.048 -1.433 . . . . 0.0 111.432 -175.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 p30 -93.38 -11.76 31.5 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -170.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.13 48.75 30.43 Favored Glycine 0 CA--C 1.535 1.316 0 N-CA-C 115.066 0.786 . . . . 0.0 115.066 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 p30 -107.39 -16.01 14.49 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 117.717 0.758 . . . . 0.0 110.837 172.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.9 -11.28 60.7 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-N 116.018 -0.537 . . . . 0.0 113.764 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.6 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 25.0 mt-30 -128.31 131.27 48.65 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.728 0.775 . . . . 0.0 110.793 -178.234 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.6 t -94.96 108.03 20.29 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.162 -166.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -82.1 -177.62 6.69 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.266 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.455 ' O ' HG23 ' A' ' 69' ' ' VAL . 55.4 t80 -50.23 -53.92 24.75 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -177.556 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -71.95 -27.79 63.02 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -174.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -70.63 -35.65 73.03 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.196 0.522 . . . . 0.0 110.612 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -73.39 -32.88 64.72 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.043 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.625 ' HA ' HG21 ' A' ' 12' ' ' ILE . 92.4 t -67.52 -38.65 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 122.338 0.255 . . . . 0.0 110.419 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -79.11 -20.2 49.26 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -75.14 -33.42 61.52 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 122.407 -0.183 . . . . 0.0 110.719 168.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.2 mmm -84.94 -50.4 7.53 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -173.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.6 t . . . . . 0 C--O 1.237 0.429 0 CA-C-O 119.064 -0.493 . . . . 0.0 112.023 -176.454 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.58 ' O ' HG12 ' A' ' 12' ' ' ILE . 17.9 m . . . . . 0 CA--C 1.52 -0.182 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 2.4 mp0 -57.0 -32.4 66.08 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.961 0.905 . . . . 0.0 112.699 -176.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -71.84 -31.85 66.94 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -177.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -84.51 -23.17 29.93 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.045 0.45 . . . . 0.0 110.227 177.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.58 HG12 ' O ' ' A' ' 8' ' ' SER . 44.0 mm -67.04 -26.86 37.7 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.07 173.622 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 74.0 mtt180 -61.9 -35.98 79.95 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.625 0.77 . . . . 0.0 112.558 176.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.65 -42.33 78.11 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 123.111 0.257 . . . . 0.0 110.737 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.65 -32.53 73.9 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.77 0.669 . . . . 0.0 111.534 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -64.32 -37.32 87.08 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.556 0.742 . . . . 0.0 111.564 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 49.0 mtm-85 -67.25 -31.72 72.25 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -178.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -73.12 -36.17 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-O 121.017 0.437 . . . . 0.0 110.027 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -81.54 -27.48 34.39 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.054 -0.975 . . . . 0.0 112.092 -174.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -90.73 109.73 20.91 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.493 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 7.1 mmpt? -75.27 -33.56 61.26 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.464 -0.789 . . . . 0.0 113.019 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -100.64 -11.08 20.3 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -169.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.55 45.27 68.16 Favored Glycine 0 CA--C 1.532 1.152 0 N-CA-C 114.543 0.577 . . . . 0.0 114.543 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -106.32 -9.3 16.85 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.239 1.019 . . . . 0.0 112.799 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.07 20.76 37.96 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 121.294 -0.479 . . . . 0.0 112.166 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.548 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 96.8 m-85 -143.41 130.53 20.72 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 123.577 0.751 . . . . 0.0 109.568 -178.473 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.1 mt -100.77 103.01 14.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 173.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.4 m -81.54 169.39 17.16 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.82 177.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.26 -28.61 65.37 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.86 -28.07 62.3 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.709 0.29 . . . . 0.0 111.471 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -74.88 -50.83 15.62 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.338 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.529 HD23 HG13 ' A' ' 48' ' ' VAL . 38.5 tp -65.31 -33.2 75.42 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.819 0.699 . . . . 0.0 111.253 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.506 ' HA ' HG21 ' A' ' 48' ' ' VAL . 69.2 ttt180 -62.68 -45.03 94.69 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.23 0.612 . . . . 0.0 111.325 176.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -70.24 -42.4 72.28 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 119.106 -0.474 . . . . 0.0 111.426 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.8 t -63.46 -46.61 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 123.633 0.583 . . . . 0.0 111.434 -177.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.7 mmt -64.85 -43.1 94.11 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 58.5 m -67.71 -31.08 70.78 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.406 177.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -73.54 -32.49 64.23 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.035 0.534 . . . . 0.0 111.509 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.4 mt -79.03 -19.85 50.42 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.559 178.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.52 8.66 40.05 Favored Glycine 0 C--N 1.333 0.414 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.748 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -87.51 -24.18 24.17 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 122.378 0.271 . . . . 0.0 110.663 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.497 ' HE3' ' HB2' ' A' ' 42' ' ' LYS . 26.4 mtmt 62.32 41.11 10.6 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 124.64 1.212 . . . . 0.0 112.771 166.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.449 ' HG ' ' CB ' ' A' ' 47' ' ' GLU . 2.6 tp -68.59 117.48 10.38 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.4 p -78.7 177.53 8.57 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.749 -175.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -61.53 -34.74 76.06 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 43.1 mm-40 -66.83 -45.43 78.27 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 123.35 0.406 . . . . 0.0 111.414 175.063 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.449 ' CB ' ' HG ' ' A' ' 43' ' ' LEU . 59.0 mm-40 -69.32 -40.02 77.86 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.783 0.677 . . . . 0.0 111.885 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.529 HG13 HD23 ' A' ' 32' ' ' LEU . 84.9 t -70.31 -39.41 76.62 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.181 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.801 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -63.04 -41.08 99.42 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.374 0.421 . . . . 0.0 111.2 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 61.4 mm-40 -62.37 -40.82 97.68 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.756 0.66 . . . . 0.0 111.69 176.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 91.0 mmm -72.05 -37.77 69.61 Favored 'General case' 0 C--O 1.225 -0.235 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.4 mm -69.92 -42.91 79.86 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.886 0 O-C-N 123.545 0.528 . . . . 0.0 110.724 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.6 ptt85 -73.32 -21.25 60.61 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -86.55 -28.3 23.43 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 120.729 0.299 . . . . 0.0 110.578 176.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.0 -29.32 27.07 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -82.49 107.84 15.45 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.089 -176.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.2 mt -77.92 -35.13 20.29 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 CA-C-N 113.999 -1.455 . . . . 0.0 110.961 -176.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -91.5 -11.83 36.33 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -174.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.44 56.52 9.85 Favored Glycine 0 CA--C 1.539 1.563 0 N-CA-C 115.138 0.815 . . . . 0.0 115.138 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.7 p30 -115.23 -16.1 11.56 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 117.672 0.736 . . . . 0.0 112.126 174.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.82 -10.1 60.44 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 121.11 -0.567 . . . . 0.0 114.165 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.548 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 53.2 mt-30 -128.26 131.05 48.76 Favored 'General case' 0 C--O 1.245 0.817 0 CA-C-O 122.075 0.94 . . . . 0.0 110.326 176.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.0 t -92.28 110.69 23.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 CA-C-N 114.055 -1.43 . . . . 0.0 109.033 -168.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.39 -174.82 1.75 Allowed 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.119 0.485 . . . . 0.0 109.783 -177.102 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -61.46 -49.31 77.3 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.162 174.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 7.5 pt-20 -58.95 -42.12 89.07 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 124.15 0.906 . . . . 0.0 112.615 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -72.04 -34.13 68.54 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 123.23 0.612 . . . . 0.0 112.099 -176.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -71.61 -40.31 69.89 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.495 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.559 ' HA ' HG21 ' A' ' 12' ' ' ILE . 94.9 t -67.67 -40.6 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 O-C-N 123.386 0.429 . . . . 0.0 111.21 -178.312 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 17.4 mm100 -68.31 -31.4 70.8 Favored 'General case' 0 C--O 1.225 -0.223 0 O-C-N 123.087 0.242 . . . . 0.0 111.332 -178.021 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -83.18 -23.98 32.66 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.524 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 64.4 mmm -85.17 -27.94 25.81 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.14 -0.35 . . . . 0.0 111.739 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.6 p . . . . . 0 C--N 1.329 -0.288 0 N-CA-C 111.525 0.195 . . . . 0.0 111.525 179.602 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.447 ' O ' HG12 ' A' ' 12' ' ' ILE . 4.1 t . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.402 ' HG2' ' H ' ' A' ' 9' ' ' GLU . 1.4 mm-40 -69.26 -26.78 64.94 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.279 0.632 . . . . 0.0 111.934 -170.2 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -68.64 -34.76 76.29 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.311 0.645 . . . . 0.0 112.077 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -70.46 -31.95 69.3 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.235 176.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.571 HG21 ' HA ' ' A' ' 69' ' ' VAL . 25.2 mm -78.33 -26.35 14.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.526 -178.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.552 ' O ' ' HD3' ' A' ' 17' ' ' ARG . 71.6 mtt180 -63.41 -48.45 77.78 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 178.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -75.22 -25.22 57.96 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 117.48 0.127 . . . . 0.0 110.897 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.9 -30.59 66.98 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.643 0.259 . . . . 0.0 111.327 174.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -68.67 -29.98 68.56 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.185 0.594 . . . . 0.0 110.558 174.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.552 ' HD3' ' O ' ' A' ' 13' ' ' ARG . 9.3 mpt_? -75.72 -18.14 59.68 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.257 0.623 . . . . 0.0 112.109 -176.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 t -78.55 -42.89 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 174.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.568 ' HA ' HG21 ' A' ' 35' ' ' VAL . 43.5 m-85 -80.32 -33.05 37.8 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 114.763 -1.108 . . . . 0.0 112.478 -170.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -90.57 100.61 13.43 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.452 0.644 . . . . 0.0 109.975 177.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.457 ' HE2' HG22 ' A' ' 35' ' ' VAL . 72.6 mmtt -77.69 -33.42 53.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.701 -1.136 . . . . 0.0 113.567 -175.51 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.4 p30 -87.3 -11.51 49.3 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -173.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.27 43.33 98.65 Favored Glycine 0 CA--C 1.536 1.402 0 N-CA-C 114.71 0.644 . . . . 0.0 114.71 -177.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -104.92 -18.08 14.32 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 117.753 0.776 . . . . 0.0 111.314 177.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.28 6.77 58.65 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 121.299 -0.477 . . . . 0.0 113.907 179.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.558 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 36.1 m-85 -135.17 129.04 33.17 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 117.339 0.569 . . . . 0.0 110.025 176.253 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.3 mt -97.73 114.25 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 120.954 0.406 . . . . 0.0 110.284 -174.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.0 p -91.51 178.43 5.95 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.858 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.68 -21.59 63.5 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.635 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.54 -42.82 74.1 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 122.716 0.406 . . . . 0.0 111.66 176.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 35' ' ' VAL . 40.9 mt-10 -75.24 -43.55 50.92 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.117 -175.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.7 tp -66.52 -34.82 78.76 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 123.652 0.595 . . . . 0.0 111.374 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -68.86 -39.45 79.89 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.572 177.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -65.12 -39.65 93.37 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 123.51 0.506 . . . . 0.0 111.283 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.568 HG21 ' HA ' ' A' ' 19' ' ' PHE . 88.0 t -64.41 -49.6 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 O-C-N 123.666 0.604 . . . . 0.0 110.923 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.3 mmt -63.47 -37.16 86.22 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -177.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.592 ' HA ' ' HA ' ' A' ' 42' ' ' LYS . 37.8 m -73.76 -32.32 63.75 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.293 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -70.94 -28.63 64.63 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 122.864 0.466 . . . . 0.0 111.228 176.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 90.2 mt -75.81 -7.16 53.78 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.296 179.199 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.35 -6.47 68.42 Favored Glycine 0 C--N 1.341 0.824 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -86.37 -25.13 25.5 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 122.65 0.38 . . . . 0.0 111.595 -173.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.592 ' HA ' ' HA ' ' A' ' 37' ' ' THR . 23.8 pttm 40.59 80.88 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 126.304 1.842 . . . . 0.0 114.006 -178.3 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 tp -82.32 135.83 35.13 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.7 160.62 32.32 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 123.749 0.656 . . . . 0.0 109.805 -177.208 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -63.55 -35.55 80.86 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.988 0.515 . . . . 0.0 111.858 -176.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 34.9 tt0 -62.26 -49.75 74.45 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.311 0.644 . . . . 0.0 111.303 173.335 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 51' ' ' MET . 49.0 mt-10 -60.41 -39.02 85.88 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 124.019 0.824 . . . . 0.0 112.38 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.0 t -69.21 -34.66 64.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 123.339 0.656 . . . . 0.0 111.296 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -67.36 -31.62 71.99 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.156 0.503 . . . . 0.0 111.128 176.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 37.2 mt-10 -74.8 -22.84 58.51 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.222 176.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.47 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 24.8 mmt -82.3 -37.43 25.82 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.452 174.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.8 mm -64.68 -44.3 96.6 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 O-C-N 123.627 0.58 . . . . 0.0 110.846 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -68.96 -21.69 64.16 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -178.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -88.17 -40.15 13.95 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.493 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.57 -22.06 30.2 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -174.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -86.17 126.92 34.59 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.147 0.499 . . . . 0.0 109.751 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.505 HG12 ' HG2' ' A' ' 67' ' ' GLU . 7.6 mm -78.95 -41.63 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.426 -172.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -99.22 -12.19 20.64 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -169.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.55 53.81 11.78 Favored Glycine 0 CA--C 1.539 1.533 0 N-CA-C 114.425 0.53 . . . . 0.0 114.425 -177.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.9 p30 -108.44 -15.08 14.53 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 117.29 0.545 . . . . 0.0 111.892 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.88 -15.83 43.98 Favored Glycine 0 CA--C 1.524 0.637 0 CA-C-O 119.929 -0.373 . . . . 0.0 113.626 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.558 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 26.8 mt-30 -132.97 137.42 46.55 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 123.362 1.553 . . . . 0.0 112.469 179.026 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.1 t -100.42 105.49 17.74 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 CA-C-N 112.552 -2.113 . . . . 0.0 109.583 -170.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.421 ' OD1' ' HG2' ' A' ' 66' ' ' GLU . 6.8 p30 -85.14 -174.29 5.17 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.85 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -50.23 -53.18 29.97 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -176.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.421 ' HG2' ' OD1' ' A' ' 64' ' ' ASN . 10.5 pt-20 -69.78 -32.18 70.52 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.056 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.505 ' HG2' HG12 ' A' ' 57' ' ' ILE . 47.0 mt-10 -69.47 -35.63 75.79 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.31 0.644 . . . . 0.0 111.622 177.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -72.5 -42.46 64.84 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.374 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.571 ' HA ' HG21 ' A' ' 12' ' ' ILE . 70.0 t -61.14 -43.46 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-O 119.003 -0.523 . . . . 0.0 111.239 178.467 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -57.4 -43.64 83.88 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.655 0.597 . . . . 0.0 112.382 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -69.62 -37.05 76.67 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 123.328 0.393 . . . . 0.0 111.776 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.43 ' HB3' HD12 ' A' ' 12' ' ' ILE . 82.3 mmm -78.37 -36.42 46.06 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -174.052 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 51.4 p . . . . . 0 CA--C 1.532 0.259 0 N-CA-C 111.507 0.188 . . . . 0.0 111.507 -179.078 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.2 p . . . . . 0 N--CA 1.45 -0.456 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.505 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 13.1 pt-20 -67.63 -20.91 65.39 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -174.208 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 43.8 mt-10 -78.91 -25.07 43.75 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.604 0.362 . . . . 0.0 111.766 -178.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -73.55 -32.22 64.06 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 170.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.571 HG21 ' HA ' ' A' ' 69' ' ' VAL . 23.0 mm -73.76 -25.92 21.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.669 178.273 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 69.1 mtt180 -66.12 -36.55 83.45 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.641 0.376 . . . . 0.0 110.685 174.269 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -77.38 -39.13 48.31 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.073 177.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.403 ' O ' ' HD1' ' A' ' 19' ' ' PHE . . . -65.1 -31.54 72.8 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.649 0.593 . . . . 0.0 111.336 178.005 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -65.14 -35.89 82.52 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 123.357 0.663 . . . . 0.0 111.238 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 39.0 mtm180 -76.19 -15.05 60.13 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -179.034 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -84.51 -42.36 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 172.37 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.599 ' HA ' HG21 ' A' ' 35' ' ' VAL . 35.8 m-85 -75.05 -34.85 61.9 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.888 -175.379 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -84.68 109.86 18.33 Favored 'General case' 0 C--O 1.228 -0.073 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 169.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.554 ' HE3' ' HA ' ' A' ' 31' ' ' GLU . 6.4 mtmp? -77.17 -26.63 53.15 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -176.071 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -104.68 -12.05 16.57 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -173.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.65 40.1 77.36 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-O 119.341 -0.699 . . . . 0.0 114.804 177.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -99.68 -14.13 19.04 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 118.424 1.112 . . . . 0.0 112.625 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.09 13.3 29.4 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.693 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -143.78 130.56 20.31 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 123.371 0.668 . . . . 0.0 110.58 -175.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.417 ' HB ' ' HB ' ' A' ' 63' ' ' VAL . 60.3 mt -103.14 106.2 19.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 175.247 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.0 m -83.19 177.25 8.64 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.245 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.34 -52.88 60.17 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 123.53 0.519 . . . . 0.0 111.837 175.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.17 -23.92 67.65 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -177.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.554 ' HA ' ' HE3' ' A' ' 21' ' ' LYS . 49.1 mt-10 -77.34 -51.63 10.52 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 122.289 0.236 . . . . 0.0 111.595 -179.115 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.4 tp -65.9 -33.68 76.39 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 123.713 0.633 . . . . 0.0 110.932 177.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.92 -51.45 63.72 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.878 1.271 . . . . 0.0 111.798 173.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -68.58 -37.02 79.5 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 123.754 0.659 . . . . 0.0 111.327 -175.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.599 HG21 ' HA ' ' A' ' 19' ' ' PHE . 58.8 t -67.25 -41.03 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 O-C-N 123.276 0.36 . . . . 0.0 111.231 -178.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.52 ' HG3' HD22 ' A' ' 43' ' ' LEU . 24.8 mmt -73.49 -25.32 60.4 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.014 0.435 . . . . 0.0 111.742 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 42' ' ' LYS . 67.2 m -74.51 -32.8 62.62 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.83 173.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -66.48 -34.34 77.71 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.313 0.645 . . . . 0.0 111.816 174.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -79.77 2.68 22.03 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.334 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.68 -15.54 58.39 Favored Glycine 0 C--N 1.339 0.708 0 CA-C-N 116.508 -0.314 . . . . 0.0 113.549 170.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -75.5 -33.77 60.78 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -172.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 37' ' ' THR . 43.7 mttp 59.12 77.17 0.32 Allowed 'General case' 0 N--CA 1.48 1.051 0 O-C-N 124.898 1.373 . . . . 0.0 110.88 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.52 HD22 ' HG3' ' A' ' 36' ' ' MET . 3.7 tp -79.22 122.13 25.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.525 -171.181 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.401 ' O ' HG23 ' A' ' 48' ' ' VAL . 57.1 p -79.91 175.98 10.14 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.182 -177.222 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -62.4 -38.82 91.14 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.908 0.483 . . . . 0.0 111.727 -173.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -67.18 -40.79 86.64 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.861 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -70.51 -42.89 70.69 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.376 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.428 HG22 HD23 ' A' ' 43' ' ' LEU . 97.7 t -65.41 -42.3 93.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 123.298 0.639 . . . . 0.0 111.657 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.17 -36.97 78.77 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 123.812 0.695 . . . . 0.0 111.534 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -75.51 -33.49 60.76 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.176 177.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.456 ' HG3' HD21 ' A' ' 43' ' ' LEU . 25.5 mmt -74.45 -29.73 61.59 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 122.46 0.304 . . . . 0.0 111.483 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.1 mm -65.74 -49.73 75.59 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.088 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.388 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.9 ptp85 -71.55 -21.69 61.86 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -76.25 -35.43 58.97 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.772 0.32 . . . . 0.0 110.608 176.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.71 -22.08 23.54 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -92.29 139.52 30.52 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 122.921 0.488 . . . . 0.0 110.147 -175.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.3 mt -79.91 -55.82 8.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.03 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -86.34 -12.04 50.45 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -167.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.04 50.46 22.9 Favored Glycine 0 CA--C 1.532 1.112 0 N-CA-C 114.559 0.584 . . . . 0.0 114.559 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.9 p30 -105.8 -16.07 14.77 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 117.689 0.745 . . . . 0.0 112.433 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.81 -13.16 50.04 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 120.997 -0.62 . . . . 0.0 113.925 -176.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -125.99 131.73 52.17 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 122.25 1.024 . . . . 0.0 110.845 176.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.417 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 22.6 t -102.84 106.86 20.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 CA-C-N 113.506 -1.679 . . . . 0.0 107.692 -170.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -77.11 -174.21 3.09 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 -176.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.46 ' O ' HG23 ' A' ' 69' ' ' VAL . 52.2 t80 -59.34 -53.58 56.57 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.731 177.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -61.08 -34.78 75.47 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.442 1.097 . . . . 0.0 112.174 -177.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -75.92 -33.53 59.87 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.237 -177.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -71.72 -44.39 64.22 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.702 176.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.571 ' HA ' HG21 ' A' ' 12' ' ' ILE . 58.1 t -62.21 -41.41 91.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 O-C-N 123.581 0.551 . . . . 0.0 111.289 -177.145 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -64.83 -39.52 93.7 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-O 118.835 -0.602 . . . . 0.0 112.235 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -69.07 -38.0 78.79 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.397 0.436 . . . . 0.0 111.067 177.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 77.5 mmm -71.23 -23.04 61.93 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.099 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.7 p . . . . . 0 C--N 1.33 -0.253 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.498 ' O ' HG12 ' A' ' 12' ' ' ILE . 79.5 p . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 120.675 0.274 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.79 -22.88 61.51 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.693 -175.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -77.34 -25.21 50.89 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.4 177.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -76.79 -25.15 53.02 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.773 171.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.544 HG21 ' HA ' ' A' ' 69' ' ' VAL . 34.1 mm -77.99 -22.21 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.339 176.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.463 ' HG2' ' CE1' ' A' ' 65' ' ' TYR . 99.8 mtt180 -62.8 -36.97 84.9 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.172 0.589 . . . . 0.0 112.06 175.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -71.37 -38.46 71.54 Favored 'General case' 0 C--O 1.223 -0.328 0 O-C-N 123.62 0.575 . . . . 0.0 109.728 178.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.62 -30.78 67.52 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.669 178.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -66.51 -39.07 88.48 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.666 0.786 . . . . 0.0 111.871 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -15.75 60.48 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -177.033 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.6 t -79.52 -44.22 23.56 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 173.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.517 ' HA ' HG21 ' A' ' 35' ' ' VAL . 28.7 m-85 -73.73 -26.34 60.63 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.839 -1.073 . . . . 0.0 112.031 -174.234 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -86.63 110.25 19.72 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 168.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -18.54 61.94 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.517 1.302 . . . . 0.0 114.517 -175.435 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.15 -10.68 11.46 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -176.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.0 43.69 90.56 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-O 119.551 -0.583 . . . . 0.0 114.2 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -102.05 -17.57 16.0 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.36 1.08 . . . . 0.0 112.25 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.69 2.45 37.21 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 120.947 -0.645 . . . . 0.0 113.448 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.5 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 67.9 m-85 -133.74 130.0 37.47 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 176.313 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.442 ' HB ' ' HB ' ' A' ' 63' ' ' VAL . 55.6 mt -104.66 114.19 43.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.0 m -95.31 177.66 5.77 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.453 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.59 -31.21 68.11 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 122.817 0.447 . . . . 0.0 111.827 -178.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.85 -33.32 74.54 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 122.769 0.428 . . . . 0.0 111.294 175.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 35' ' ' VAL . 50.3 mt-10 -74.23 -46.15 43.54 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.043 178.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.516 HD23 HG13 ' A' ' 48' ' ' VAL . 60.5 tp -66.18 -36.06 82.11 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.833 0.708 . . . . 0.0 111.593 -178.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -68.13 -35.27 77.84 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.297 0.373 . . . . 0.0 110.436 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -70.62 -37.35 73.81 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-O 119.297 -0.382 . . . . 0.0 110.571 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.517 HG21 ' HA ' ' A' ' 19' ' ' PHE . 90.5 t -63.97 -40.26 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.225 0.61 . . . . 0.0 110.843 175.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.4 mmt -60.36 -44.03 95.96 Favored 'General case' 0 C--O 1.222 -0.352 0 O-C-N 123.59 0.556 . . . . 0.0 111.058 175.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.2 m -70.11 -27.22 64.41 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.015 0.526 . . . . 0.0 111.809 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -68.35 -34.14 75.55 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.811 0.444 . . . . 0.0 111.153 174.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -85.76 1.93 47.61 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.491 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.38 19.32 55.27 Favored Glycine 0 C--N 1.339 0.716 0 C-N-CA 121.357 -0.449 . . . . 0.0 113.414 176.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -114.47 159.67 20.08 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -130.55 82.77 2.07 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.171 0.51 . . . . 0.0 110.532 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -78.03 130.77 36.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.29 174.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.0 p -78.11 172.93 12.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.529 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.03 -29.35 70.51 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -66.5 -45.56 79.19 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.768 0.667 . . . . 0.0 111.586 174.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -71.56 -40.91 69.67 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.734 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.516 HG13 HD23 ' A' ' 32' ' ' LEU . 95.1 t -68.89 -37.72 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 O-C-N 123.836 0.71 . . . . 0.0 110.936 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -60.69 -39.65 89.26 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 122.961 0.504 . . . . 0.0 112.114 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.548 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 53.4 mt-10 -74.71 -26.94 60.15 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.365 0.416 . . . . 0.0 111.781 -179.349 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.3 mmt -72.79 -39.82 66.39 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.31 0.381 . . . . 0.0 110.539 173.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.2 mm -65.95 -46.98 86.87 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.895 0 O-C-N 123.961 0.788 . . . . 0.0 110.932 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.548 ' HG2' ' HA ' ' A' ' 50' ' ' GLU . 28.4 ptt180 -71.14 -21.89 62.13 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -175.315 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -87.05 -30.27 21.29 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.933 0.397 . . . . 0.0 110.354 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.19 -21.32 31.31 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.676 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.33 114.79 26.93 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.685 0.755 . . . . 0.0 110.638 -177.569 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.3 mt -79.69 -41.48 21.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 114.284 -1.326 . . . . 0.0 110.87 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -91.69 -11.17 37.67 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.358 0.874 . . . . 0.0 113.358 -171.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.38 49.87 29.7 Favored Glycine 0 CA--C 1.534 1.279 0 N-CA-C 114.951 0.74 . . . . 0.0 114.951 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.2 p30 -108.55 -15.83 14.34 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-N 117.914 0.857 . . . . 0.0 111.968 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.18 -12.99 63.6 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 121.046 -0.597 . . . . 0.0 113.93 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.5 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 33.0 mt-30 -119.46 131.07 55.54 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 117.904 0.852 . . . . 0.0 109.691 177.497 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.442 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 53.5 t -96.33 109.23 22.49 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 CA-C-N 114.164 -1.38 . . . . 0.0 107.81 -171.292 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.73 -174.85 2.71 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.409 -177.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.463 ' CE1' ' HG2' ' A' ' 13' ' ' ARG . 43.8 t80 -62.08 -51.53 67.56 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.925 176.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 1.4 pm0 -61.81 -36.91 82.52 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.025 0.93 . . . . 0.0 112.749 -179.162 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -70.6 -37.36 73.86 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 123.734 0.647 . . . . 0.0 111.765 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -69.26 -38.4 78.38 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.622 176.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.544 ' HA ' HG21 ' A' ' 12' ' ' ILE . 46.9 t -64.26 -38.95 83.84 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.55 0 O-C-N 123.835 0.709 . . . . 0.0 111.179 -177.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 81.1 mm-40 -69.51 -31.23 69.34 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -178.161 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -80.61 -20.06 44.05 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.776 177.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.488 ' HB3' HD12 ' A' ' 12' ' ' ILE . 92.8 mmm -92.33 -33.96 14.4 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -178.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.9 p . . . . . 0 N--CA 1.463 0.199 0 O-C-N 123.065 0.228 . . . . 0.0 111.33 -178.638 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.487 ' O ' HG12 ' A' ' 12' ' ' ILE . 56.1 p . . . . . 0 N--CA 1.451 -0.418 0 CA-C-O 120.737 0.303 . . . . 0.0 110.482 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 14.7 mp0 -70.42 -20.42 62.92 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 123.521 0.728 . . . . 0.0 111.619 -173.108 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -64.19 -39.34 93.79 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.54 0.736 . . . . 0.0 111.176 175.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -75.11 -33.45 61.59 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.333 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.574 HG21 ' HA ' ' A' ' 69' ' ' VAL . 12.2 mm -74.96 -22.64 17.11 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.66 -177.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 43.4 mtp-105 -57.77 -56.18 25.31 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 122.705 0.402 . . . . 0.0 111.03 172.345 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -68.37 -30.91 69.96 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.305 1.003 . . . . 0.0 112.462 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.66 -44.8 77.02 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 117.914 0.325 . . . . 0.0 111.053 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -63.29 -31.98 73.27 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.632 0.773 . . . . 0.0 110.91 174.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -73.86 -24.96 59.82 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.178 -1.374 . . . . 0.0 112.282 -174.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 t -70.72 -46.97 66.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 172.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.534 ' HA ' HG21 ' A' ' 35' ' ' VAL . 57.9 m-85 -73.18 -36.46 66.58 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.202 -1.363 . . . . 0.0 112.073 -169.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -82.61 108.4 15.97 Favored 'General case' 0 C--N 1.341 0.229 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 173.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -78.4 -34.26 48.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.029 -0.987 . . . . 0.0 112.885 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -97.33 -11.5 23.97 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -170.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.5 46.58 62.0 Favored Glycine 0 CA--C 1.531 1.09 0 CA-C-O 119.579 -0.567 . . . . 0.0 114.454 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -106.03 -4.8 20.07 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.201 1.001 . . . . 0.0 112.186 178.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 64' ' ' ASN . . . 87.28 23.21 41.36 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 121.46 -0.4 . . . . 0.0 112.728 -178.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.585 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 38.6 m-85 -147.44 130.55 16.39 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.706 0.803 . . . . 0.0 110.776 -178.2 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.9 mt -98.83 104.81 16.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 169.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.4 p -84.03 176.16 9.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.65 0.262 . . . . 0.0 110.462 177.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.41 -26.5 68.01 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.178 -0.464 . . . . 0.0 112.113 174.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.79 -39.73 69.69 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.563 0.22 . . . . 0.0 111.419 176.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -73.11 -44.76 59.87 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.549 -178.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.446 HD23 HG13 ' A' ' 48' ' ' VAL . 33.7 tp -67.96 -34.98 77.6 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 123.855 0.722 . . . . 0.0 111.15 -178.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -65.41 -39.62 92.4 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.156 0.285 . . . . 0.0 110.953 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -63.38 -48.04 79.53 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.279 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.534 HG21 ' HA ' ' A' ' 19' ' ' PHE . 60.6 t -65.89 -42.24 91.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 O-C-N 123.715 0.635 . . . . 0.0 111.248 -176.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.4 mmt -57.31 -48.15 79.67 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.928 0.491 . . . . 0.0 112.218 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.481 HG23 ' HG2' ' A' ' 42' ' ' LYS . 23.3 m -71.71 -30.85 66.1 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.589 -177.492 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.09 -29.22 61.75 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.028 0.531 . . . . 0.0 112.145 178.445 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 87.4 mt -87.02 -2.12 58.39 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.89 -0.27 62.55 Favored Glycine 0 C--N 1.338 0.687 0 C-N-CA 121.296 -0.478 . . . . 0.0 113.603 174.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -80.67 -44.31 19.0 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.519 0.327 . . . . 0.0 110.731 -177.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.481 ' HG2' HG23 ' A' ' 37' ' ' THR . 35.7 mtmm 61.67 85.96 0.11 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.154 1.382 . . . . 0.0 112.524 178.431 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.2 mp -101.38 135.89 42.11 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.985 175.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 79.7 p -82.15 178.12 8.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.542 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -59.08 -39.63 82.77 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.247 0.619 . . . . 0.0 112.522 -173.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -77.71 -32.36 52.86 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.777 -177.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -77.52 -32.0 53.77 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 122.564 0.346 . . . . 0.0 111.294 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.446 HG13 HD23 ' A' ' 32' ' ' LEU . 53.1 t -66.97 -37.66 79.82 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.041 173.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.5 -30.22 69.85 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 123.343 0.402 . . . . 0.0 111.45 177.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -64.44 -34.1 77.4 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.928 0.491 . . . . 0.0 111.962 174.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 94.4 mmm -82.62 -31.29 28.9 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.813 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 18.7 mm -65.86 -47.48 85.44 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 O-C-N 123.602 0.563 . . . . 0.0 110.426 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -69.74 -22.86 63.34 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -177.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -82.84 -26.69 31.44 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 121.14 0.495 . . . . 0.0 110.613 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -95.99 -26.54 15.51 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -88.93 121.83 31.69 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.647 0.737 . . . . 0.0 111.087 -174.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 78.6 mt -80.16 -46.52 21.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 114.146 -1.388 . . . . 0.0 111.151 -176.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -88.48 -12.3 43.39 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -169.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.18 49.44 26.86 Favored Glycine 0 CA--C 1.538 1.478 0 N-CA-C 114.989 0.755 . . . . 0.0 114.989 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.3 p30 -106.22 -16.59 14.55 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 118.239 1.019 . . . . 0.0 112.504 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.85 -12.5 49.78 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 121.05 -0.595 . . . . 0.0 113.81 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.585 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 29.8 mt-30 -130.91 131.55 44.55 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 121.959 0.885 . . . . 0.0 111.196 177.017 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.0 t -90.56 112.44 24.96 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 CA-C-N 114.012 -1.449 . . . . 0.0 110.127 -171.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 25' ' ' GLY . 48.2 m-80 -65.01 178.55 0.81 Allowed 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.56 0.695 . . . . 0.0 112.212 175.464 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -64.51 -45.85 85.5 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.94 168.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -56.89 -39.98 75.4 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.426 0.691 . . . . 0.0 112.32 175.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -74.68 -34.55 62.7 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.929 -176.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -75.16 -39.81 60.06 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.892 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.574 ' HA ' HG21 ' A' ' 12' ' ' ILE . 92.0 t -66.31 -38.22 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 119.197 -0.43 . . . . 0.0 110.898 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -65.69 -35.55 81.1 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 177.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -73.99 -32.26 63.33 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 123.142 0.276 . . . . 0.0 111.245 178.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 72.4 mmm -86.13 -19.81 29.59 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -175.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.8 p . . . . . 0 CA--C 1.534 0.347 0 CA-C-O 121.137 0.494 . . . . 0.0 110.417 172.532 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.58 ' O ' HG12 ' A' ' 12' ' ' ILE . 76.7 p . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -63.6 -27.98 69.61 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -172.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -79.55 -25.97 41.52 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 178.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -81.28 -22.53 38.58 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.203 0.525 . . . . 0.0 109.882 174.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.635 HG21 ' HA ' ' A' ' 69' ' ' VAL . 50.3 mm -65.36 -28.24 43.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.321 173.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.404 ' O ' ' HG2' ' A' ' 17' ' ' ARG . 69.3 mtp180 -65.27 -37.51 87.43 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 122.785 0.434 . . . . 0.0 111.354 176.396 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -77.12 -35.42 56.27 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.797 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.07 -23.31 62.11 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.078 174.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -72.39 -27.1 62.15 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.445 175.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 15.1 mmm-85 -79.72 -19.81 47.96 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 111.522 0.193 . . . . 0.0 111.522 -177.011 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.1 t -74.83 -38.53 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.425 ' HA ' HG21 ' A' ' 35' ' ' VAL . 49.3 m-85 -86.68 -36.02 18.96 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.849 -173.486 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -92.22 101.19 13.69 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 24.0 mmtp -78.37 -28.95 47.14 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -90.71 -10.91 41.31 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -175.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.15 31.47 72.03 Favored Glycine 0 CA--C 1.533 1.159 0 N-CA-C 115.079 0.792 . . . . 0.0 115.079 176.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -93.02 -18.3 22.85 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 118.54 1.17 . . . . 0.0 112.664 -177.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.27 13.96 37.3 Favored Glycine 0 C--N 1.338 0.657 0 C-N-CA 120.889 -0.672 . . . . 0.0 113.046 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -142.02 130.23 22.19 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 123.912 0.885 . . . . 0.0 109.543 -179.127 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.3 mt -101.93 109.53 26.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.3 t -90.6 174.87 7.28 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.666 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.06 -27.96 67.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.109 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.4 -30.48 68.46 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 177.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -81.41 -42.76 19.92 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.986 -177.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.6 tp -65.77 -36.9 84.86 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 123.579 0.549 . . . . 0.0 110.69 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -64.12 -41.39 97.24 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 123.765 0.666 . . . . 0.0 111.056 176.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 50.7 t60 -67.41 -38.55 84.79 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 123.802 0.689 . . . . 0.0 111.298 -178.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.425 HG21 ' HA ' ' A' ' 19' ' ' PHE . 84.7 t -71.13 -45.26 72.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 O-C-N 123.418 0.449 . . . . 0.0 111.194 179.32 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.48 ' HG3' HD22 ' A' ' 43' ' ' LEU . 24.3 mmt -65.42 -40.24 93.11 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -176.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.533 HG23 ' HG3' ' A' ' 42' ' ' LYS . 46.5 m -68.61 -33.07 73.41 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 123.291 0.37 . . . . 0.0 111.303 179.197 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -72.41 -32.14 66.11 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 122.843 0.457 . . . . 0.0 111.103 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.3 mt -72.39 -12.04 60.94 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 122.926 0.49 . . . . 0.0 111.762 175.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.97 3.35 83.07 Favored Glycine 0 C--N 1.337 0.594 0 C-N-CA 121.727 -0.273 . . . . 0.0 112.574 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -78.38 -40.54 35.89 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 176.255 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.533 ' HG3' HG23 ' A' ' 37' ' ' THR . 79.9 tttt 56.68 86.81 0.06 Allowed 'General case' 0 C--N 1.346 0.455 0 O-C-N 125.521 1.763 . . . . 0.0 111.657 174.551 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.48 HD22 ' HG3' ' A' ' 36' ' ' MET . 5.5 tp -90.12 131.16 36.12 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.865 -174.127 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.9 m -71.0 165.74 22.81 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.479 0.712 . . . . 0.0 110.426 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -51.93 -48.2 64.34 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.224 1.01 . . . . 0.0 112.502 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 43.3 mp0 -66.79 -43.88 82.76 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 123.94 0.775 . . . . 0.0 110.948 177.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.86 -32.34 73.54 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -174.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.0 t -70.42 -41.92 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 175.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.81 -34.55 78.17 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 123.817 0.698 . . . . 0.0 111.293 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 18.5 mm-40 -62.8 -41.92 99.48 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 123.542 0.526 . . . . 0.0 111.421 175.219 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 92.5 mmm -78.14 -28.73 48.48 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -177.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.6 mm -64.71 -51.44 67.36 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.87 0 O-C-N 123.496 0.498 . . . . 0.0 109.737 171.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.1 ptt85 -72.17 -22.35 61.3 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -174.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -77.56 -33.92 53.89 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 120.949 0.404 . . . . 0.0 110.582 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.63 -19.84 21.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.159 -177.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -83.98 123.5 30.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.884 -177.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.444 HD11 ' HB2' ' A' ' 70' ' ' GLN . 66.4 mt -79.15 -42.74 23.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.984 -175.184 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -94.23 -12.24 28.61 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -171.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.11 59.11 6.64 Favored Glycine 0 CA--C 1.534 1.249 0 N-CA-C 114.727 0.651 . . . . 0.0 114.727 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.6 p30 -115.34 -15.72 11.53 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 118.001 0.9 . . . . 0.0 112.224 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.2 -12.5 48.47 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 120.841 -0.695 . . . . 0.0 114.452 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -130.92 135.12 47.38 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 122.404 1.097 . . . . 0.0 110.957 175.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.8 t -94.32 109.82 22.7 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 CA-C-N 113.102 -1.863 . . . . 0.0 107.235 -171.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -73.94 -174.12 1.76 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.906 -177.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.5 ' O ' HG23 ' A' ' 69' ' ' VAL . 77.9 t80 -62.89 -51.17 68.0 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.003 175.011 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -60.56 -34.53 74.3 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.235 1.014 . . . . 0.0 112.942 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -75.87 -29.31 58.47 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.489 -177.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.451 ' HA ' ' ND1' ' A' ' 71' ' ' HIS . 48.8 t80 -74.96 -40.85 60.53 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.679 174.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.635 ' HA ' HG21 ' A' ' 12' ' ' ILE . 52.4 t -66.6 -46.41 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 119.145 -0.455 . . . . 0.0 111.396 -176.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.444 ' HB2' HD11 ' A' ' 57' ' ' ILE . 75.7 mm-40 -64.45 -36.87 85.58 Favored 'General case' 0 C--O 1.221 -0.423 0 O-C-N 123.405 0.441 . . . . 0.0 112.056 -177.191 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.451 ' ND1' ' HA ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -77.49 -24.23 50.16 Favored 'General case' 0 CA--C 1.552 1.038 0 O-C-N 123.708 0.63 . . . . 0.0 111.069 -177.219 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 51.1 mmm -92.28 -25.34 18.64 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 123.099 0.56 . . . . 0.0 112.356 -175.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.1 p . . . . . 0 C--O 1.232 0.169 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.833 177.397 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.469 ' O ' HG12 ' A' ' 12' ' ' ILE . 22.4 m . . . . . 0 N--CA 1.463 0.195 0 N-CA-C 111.27 0.1 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -18.18 63.97 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.934 0.494 . . . . 0.0 111.542 177.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.517 ' HA ' HH11 ' A' ' 13' ' ' ARG . 10.1 tp10 -63.3 -37.33 86.82 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.168 0.987 . . . . 0.0 111.083 172.483 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -79.87 -30.33 40.22 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.221 178.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.559 HG21 ' HA ' ' A' ' 69' ' ' VAL . 18.3 mm -72.05 -22.41 21.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.254 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.517 HH11 ' HA ' ' A' ' 10' ' ' GLU . 63.1 mtt85 -58.44 -48.37 80.93 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 173.569 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -81.67 -26.27 34.86 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.752 0.31 . . . . 0.0 111.2 -178.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.433 ' O ' ' HD2' ' A' ' 19' ' ' PHE . . . -70.61 -30.5 67.18 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.021 174.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -70.54 -35.31 73.06 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 123.054 0.542 . . . . 0.0 110.384 175.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.9 mtp85 -69.7 -24.2 63.54 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -175.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.0 p -87.94 -20.35 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 CA-C-O 120.915 0.388 . . . . 0.0 111.285 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.433 ' HD2' ' O ' ' A' ' 15' ' ' ALA . 49.3 m-85 -91.75 -26.74 18.44 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 122.322 -0.236 . . . . 0.0 111.271 177.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -85.79 109.85 18.95 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 172.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -74.93 -25.96 59.27 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.865 -1.061 . . . . 0.0 113.708 -174.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -110.32 -11.75 14.5 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -173.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.57 24.61 67.29 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-O 118.831 -0.983 . . . . 0.0 115.144 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -87.46 -18.81 29.05 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 119.272 1.536 . . . . 0.0 112.838 -175.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.08 10.44 34.42 Favored Glycine 0 C--O 1.219 -0.8 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.196 -178.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.406 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 45.2 m-85 -138.01 130.26 28.99 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.506 0.722 . . . . 0.0 109.475 174.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.4 mt -94.95 108.59 21.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 175.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 m -84.16 172.78 11.61 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.69 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.566 ' O ' ' HB2' ' A' ' 33' ' ' ARG . . . -70.65 -26.21 63.35 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.846 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.49 -29.51 52.61 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.62 0.247 . . . . 0.0 111.221 175.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 35' ' ' VAL . 51.7 mt-10 -70.63 -54.41 12.08 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.119 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.0 tp -65.69 -27.1 68.1 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 123.872 0.732 . . . . 0.0 111.59 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.566 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 29.5 ttt-85 -62.91 -44.36 96.29 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.45 0.7 . . . . 0.0 110.52 178.419 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -75.0 -32.79 61.73 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.814 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 31' ' ' GLU . 66.8 t -68.0 -41.5 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 123.093 0.246 . . . . 0.0 110.868 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.8 mmt -65.61 -40.0 92.13 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.79 0.329 . . . . 0.0 111.72 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 39.8 m -66.57 -35.74 80.95 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.061 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -68.84 -39.94 79.68 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.716 0.807 . . . . 0.0 111.849 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.525 ' HB2' ' HG2' ' A' ' 41' ' ' GLU . 89.8 mt -74.48 -21.21 59.69 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.922 -179.057 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.9 18.87 42.12 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.596 -0.602 . . . . 0.0 111.596 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.525 ' HG2' ' HB2' ' A' ' 39' ' ' LEU . 8.5 mm-40 -78.38 -36.82 45.41 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 175.469 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.3 tttp 58.6 78.8 0.24 Allowed 'General case' 0 C--N 1.349 0.583 0 O-C-N 125.306 1.629 . . . . 0.0 111.156 174.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.502 ' HG ' ' HB2' ' A' ' 47' ' ' GLU . 3.9 tp -109.33 141.47 41.62 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.466 -175.304 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.2 p -77.25 169.15 18.84 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.175 0.297 . . . . 0.0 110.575 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.471 ' HB2' HH21 ' A' ' 33' ' ' ARG . 35.6 t70 -62.95 -32.72 74.09 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 123.285 0.365 . . . . 0.0 111.167 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.543 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 42.6 mt-10 -67.24 -49.81 63.05 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.315 176.038 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.502 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 51.0 mt-10 -68.35 -32.49 72.63 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -175.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.565 HG21 ' HA ' ' A' ' 33' ' ' ARG . 79.9 t -67.51 -41.72 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 175.279 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.477 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 37.0 t70 -60.44 -40.32 90.67 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.719 0.637 . . . . 0.0 111.685 179.041 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 34.2 mt-10 -66.95 -35.05 79.11 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.655 0.597 . . . . 0.0 111.368 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 87.8 mmm -74.32 -30.86 62.23 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 123.395 0.434 . . . . 0.0 111.85 178.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.4 mm -66.65 -52.25 47.69 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.953 0 O-C-N 123.423 0.452 . . . . 0.0 110.59 174.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 49' ' ' ASP . 2.6 ptt180 -71.11 -21.74 62.17 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -177.004 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -81.09 -26.55 36.14 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.07 0.462 . . . . 0.0 110.751 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.53 -17.56 26.81 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 122.139 -0.351 . . . . 0.0 111.204 175.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -88.92 119.54 29.53 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.243 0.544 . . . . 0.0 110.545 -176.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 79.2 mt -79.92 -46.06 22.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.617 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -88.71 -12.44 42.32 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -166.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.84 53.33 11.69 Favored Glycine 0 CA--C 1.535 1.298 0 N-CA-C 114.439 0.536 . . . . 0.0 114.439 -177.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.4 p30 -109.73 -15.53 14.12 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 117.493 0.647 . . . . 0.0 111.72 174.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.18 -2.93 59.79 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.538 -0.59 . . . . 0.0 113.983 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.406 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 47.9 mt-30 -138.01 131.85 31.33 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-O 122.25 1.024 . . . . 0.0 110.559 177.53 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 26.1 t -91.5 103.23 14.3 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.318 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.009 -169.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -79.3 179.58 7.32 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.718 -178.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -50.18 -51.94 39.68 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -175.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.01 -27.01 61.53 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -176.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -69.35 -39.12 78.32 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 122.856 0.462 . . . . 0.0 110.996 177.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -73.09 -34.89 66.46 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.224 177.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.559 ' HA ' HG21 ' A' ' 12' ' ' ILE . 24.1 t -64.77 -41.77 93.12 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.561 0 O-C-N 123.482 0.488 . . . . 0.0 111.027 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -68.36 -27.96 66.71 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -83.01 -23.29 33.34 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 120.669 0.271 . . . . 0.0 110.85 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.473 ' HB3' HD12 ' A' ' 12' ' ' ILE . 75.7 mmm -92.63 -48.09 6.77 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -176.068 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.9 p . . . . . 0 N--CA 1.467 0.41 0 C-N-CA 122.332 0.253 . . . . 0.0 111.613 -175.559 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.2 m . . . . . 0 CA--C 1.537 0.455 0 CA-C-O 120.852 0.358 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 10.6 pt-20 -59.95 -16.47 30.28 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -177.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -68.69 -36.93 79.14 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.312 1.045 . . . . 0.0 112.301 -177.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -84.83 -23.12 29.2 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.88 0.371 . . . . 0.0 110.265 174.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.507 HG21 ' HA ' ' A' ' 69' ' ' VAL . 19.6 mm -70.57 -22.44 23.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.08 176.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 95.5 mtt-85 -58.66 -46.69 86.62 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.116 0.566 . . . . 0.0 111.156 171.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -76.46 -36.39 57.91 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.868 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.405 ' O ' ' HD1' ' A' ' 19' ' ' PHE . . . -64.21 -33.55 76.07 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 122.964 0.506 . . . . 0.0 111.585 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -65.54 -31.89 73.2 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.086 0.554 . . . . 0.0 111.508 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.4 mmm180 -72.74 -30.38 64.11 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.654 -177.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -79.49 -30.79 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 O-C-N 123.143 0.277 . . . . 0.0 110.495 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.405 ' HD1' ' O ' ' A' ' 15' ' ' ALA . 30.6 m-85 -83.64 -25.11 31.05 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.756 -177.294 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -89.23 110.75 21.47 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 174.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.538 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 10.7 mmpt? -73.3 -22.39 60.36 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -175.077 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -112.79 -11.52 13.47 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.619 0.599 . . . . 0.0 112.619 -176.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.45 21.79 68.89 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-O 118.848 -0.974 . . . . 0.0 115.44 176.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -90.13 -18.75 25.24 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.273 1.536 . . . . 0.0 113.914 -173.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.78 13.2 26.26 Favored Glycine 0 CA--C 1.523 0.533 0 C-N-CA 120.445 -0.883 . . . . 0.0 113.255 -178.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.564 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 48.6 m-85 -137.69 130.81 30.49 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 175.188 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 63' ' ' VAL . 55.5 mt -101.21 107.33 21.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 174.054 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.5 m -83.58 176.08 9.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.696 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.533 ' O ' ' HB2' ' A' ' 33' ' ' ARG . . . -65.98 -36.67 83.95 Favored 'General case' 0 C--O 1.212 -0.879 0 O-C-N 123.188 0.305 . . . . 0.0 111.458 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.05 -32.64 70.85 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 123.294 0.371 . . . . 0.0 111.889 178.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 35' ' ' VAL . 49.4 mt-10 -70.74 -52.74 18.88 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.572 -178.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.6 tp -66.3 -30.86 71.36 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.876 0.735 . . . . 0.0 111.123 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.533 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 33.0 ttm180 -58.39 -47.04 85.17 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.347 1.059 . . . . 0.0 111.558 176.412 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -70.76 -33.57 70.92 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.486 -177.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.5 HG22 ' HE3' ' A' ' 21' ' ' LYS . 23.3 t -66.87 -43.72 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 123.244 0.34 . . . . 0.0 110.547 176.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.401 ' HG3' HD22 ' A' ' 43' ' ' LEU . 23.6 mmt -64.09 -37.86 88.97 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.867 0.467 . . . . 0.0 111.806 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 54.6 m -66.06 -38.44 88.36 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.012 176.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -71.29 -34.92 71.07 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.425 0.69 . . . . 0.0 112.187 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 95.8 mt -72.53 -27.43 62.23 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 122.685 0.394 . . . . 0.0 111.794 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.5 10.41 44.37 Favored Glycine 0 C--N 1.335 0.483 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 -174.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -76.09 -24.76 55.04 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 123.636 0.774 . . . . 0.0 111.313 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.1 pttt 45.38 53.18 8.43 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 126.05 1.74 . . . . 0.0 113.636 177.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.401 HD22 ' HG3' ' A' ' 36' ' ' MET . 4.4 mp -81.78 130.67 35.14 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.336 178.389 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.26 176.49 7.34 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.247 179.093 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.14 -39.54 93.15 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 122.22 -0.3 . . . . 0.0 111.7 -177.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -70.59 -32.87 70.41 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.366 0.416 . . . . 0.0 111.557 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -70.0 -44.43 69.36 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.38 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.505 HG21 ' HA ' ' A' ' 33' ' ' ARG . 60.4 t -69.44 -33.49 57.62 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.608 0 O-C-N 123.515 0.51 . . . . 0.0 110.374 177.296 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.471 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 23.8 t70 -58.66 -46.77 86.45 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 122.935 0.494 . . . . 0.0 111.645 177.354 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -71.44 -27.23 63.13 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 123.378 0.424 . . . . 0.0 112.058 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.1 mmt -79.42 -27.45 41.74 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.414 HD13 ' HA ' ' A' ' 52' ' ' ILE . 16.6 mm -66.71 -50.21 67.88 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.845 0 O-C-N 123.623 0.577 . . . . 0.0 109.991 174.293 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 49' ' ' ASP . 8.5 ptt180 -73.03 -21.87 60.73 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -72.16 -32.39 66.82 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 120.974 0.416 . . . . 0.0 110.646 173.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.75 -21.06 24.01 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.798 178.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -92.44 121.92 34.38 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.553 -173.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 60.4 mt -79.39 -46.55 23.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.756 -176.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -88.56 -11.49 45.48 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -169.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.09 42.86 57.99 Favored Glycine 0 CA--C 1.538 1.497 0 N-CA-C 115.182 0.833 . . . . 0.0 115.182 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 45.6 p30 -99.79 -16.12 18.2 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 117.66 0.73 . . . . 0.0 112.155 178.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.57 -6.06 67.6 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-O 119.752 -0.471 . . . . 0.0 113.883 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.564 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 11.1 mt-30 -128.68 131.09 47.98 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 121.552 0.691 . . . . 0.0 109.872 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.401 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 58.8 t -96.97 109.76 23.71 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.182 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.59 -170.066 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -65.25 -179.3 0.57 Allowed 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.508 0.671 . . . . 0.0 112.086 177.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -62.71 -45.81 91.02 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.882 167.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -60.87 -38.1 84.44 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.413 0.685 . . . . 0.0 112.76 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -76.25 -32.75 59.04 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 122.899 0.479 . . . . 0.0 111.767 -177.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -71.99 -42.18 66.78 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.514 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.507 ' HA ' HG21 ' A' ' 12' ' ' ILE . 72.3 t -62.53 -39.22 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 O-C-N 123.531 0.519 . . . . 0.0 111.134 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -67.34 -31.6 71.98 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -81.57 -26.49 34.95 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 122.977 0.173 . . . . 0.0 111.294 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 70.9 mmm -83.38 -27.99 29.26 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -178.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.0 p . . . . . 0 CA--C 1.529 0.168 0 N-CA-C 111.582 0.215 . . . . 0.0 111.582 -179.798 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.448 -0.544 0 CA-C-O 121.367 0.604 . . . . 0.0 111.628 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 8.0 mp0 -71.2 -14.24 62.19 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.839 -171.138 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.477 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 3.4 mp0 -79.25 -27.17 42.37 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 122.546 0.339 . . . . 0.0 111.341 -177.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -83.31 -25.96 31.04 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 172.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.544 HG21 ' HA ' ' A' ' 69' ' ' VAL . 39.0 mm -68.49 -30.74 48.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 172.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.477 ' HD2' ' HA ' ' A' ' 10' ' ' GLU . 94.0 mtt180 -65.93 -38.89 89.83 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.216 0.606 . . . . 0.0 111.187 171.723 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -72.74 -34.53 67.11 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.782 0.676 . . . . 0.0 110.862 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.26 -37.23 83.15 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 122.845 0.458 . . . . 0.0 110.449 174.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -64.46 -27.22 68.84 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.528 0.731 . . . . 0.0 110.94 177.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 17' ' ' ARG . 3.3 mmp_? -73.53 -25.85 60.6 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 178.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 t -82.16 -42.05 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 176.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -73.13 -32.54 64.97 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.763 -1.108 . . . . 0.0 112.092 -174.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -91.85 102.85 15.44 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.09 0.471 . . . . 0.0 109.752 175.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.473 ' HE2' HG22 ' A' ' 35' ' ' VAL . 73.4 mmtt -77.67 -29.7 51.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.304 -0.862 . . . . 0.0 113.032 -178.483 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -96.49 -12.02 24.73 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -173.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.5 27.69 67.11 Favored Glycine 0 CA--C 1.536 1.393 0 N-CA-C 115.41 0.924 . . . . 0.0 115.41 177.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -92.99 -16.14 25.42 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 118.866 1.333 . . . . 0.0 113.045 -175.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.14 13.38 49.32 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.953 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -138.75 130.4 27.58 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.795 0.838 . . . . 0.0 109.376 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.535 ' HB ' ' HB ' ' A' ' 63' ' ' VAL . 65.3 mt -99.16 110.53 26.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.0 p -89.61 171.64 9.53 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.127 176.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.552 ' O ' ' HB2' ' A' ' 33' ' ' ARG . . . -71.04 -22.4 62.14 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.542 178.187 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.94 -35.56 72.27 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 122.427 0.291 . . . . 0.0 111.636 176.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 35' ' ' VAL . 43.3 mt-10 -74.16 -51.18 16.35 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.663 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.8 tp -63.06 -30.23 71.43 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 124.106 0.878 . . . . 0.0 111.746 -178.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.552 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 20.8 ttt-85 -62.46 -43.95 97.58 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.725 0.81 . . . . 0.0 110.974 176.234 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -73.38 -34.5 65.59 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.206 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.473 HG22 ' HE2' ' A' ' 21' ' ' LYS . 96.5 t -69.25 -45.95 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 123.347 0.404 . . . . 0.0 110.792 -177.21 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 30.3 mmt -61.31 -45.14 95.71 Favored 'General case' 0 C--O 1.223 -0.341 0 O-C-N 123.313 0.383 . . . . 0.0 111.738 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 m -70.16 -29.56 66.49 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -74.58 -42.51 58.59 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.003 0.521 . . . . 0.0 111.527 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.2 mp -73.77 -15.01 61.21 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -178.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.48 5.81 42.13 Favored Glycine 0 C--N 1.337 0.603 0 C-N-CA 121.296 -0.478 . . . . 0.0 113.171 176.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -76.38 -42.78 43.31 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 122.712 0.405 . . . . 0.0 110.066 178.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt 54.3 69.54 0.71 Allowed 'General case' 0 N--CA 1.473 0.692 0 O-C-N 124.803 1.314 . . . . 0.0 111.607 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.419 ' HG ' ' HB2' ' A' ' 47' ' ' GLU . 11.0 tp -89.51 143.9 26.45 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.757 -173.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.03 158.53 35.5 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.475 0.485 . . . . 0.0 110.569 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -55.31 -47.67 75.26 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.324 1.05 . . . . 0.0 113.009 -177.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -72.1 -27.08 62.42 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 178.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.419 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 32.8 mm-40 -72.07 -35.49 69.28 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 123.258 0.349 . . . . 0.0 111.063 176.517 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 70.6 t -64.06 -39.99 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 123.471 0.708 . . . . 0.0 110.419 174.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -59.91 -39.13 84.37 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.381 0.672 . . . . 0.0 111.154 175.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.54 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 44.8 mt-10 -73.0 -31.21 64.35 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.393 -179.101 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 72.2 mmm -73.85 -32.23 63.55 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.095 0.158 . . . . 0.0 110.655 175.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.5 mm -68.65 -46.46 79.81 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.631 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.029 175.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.54 ' HG2' ' HA ' ' A' ' 50' ' ' GLU . 17.5 ptm180 -71.88 -24.91 61.74 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -176.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -71.22 -38.35 72.01 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-O 120.791 0.329 . . . . 0.0 111.243 174.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.53 -18.13 36.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.872 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -86.22 115.17 23.6 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.923 0.868 . . . . 0.0 109.271 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.445 HD11 ' HB2' ' A' ' 70' ' ' GLN . 85.3 mt -79.49 -36.34 17.65 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.031 0 CA-C-N 114.207 -1.361 . . . . 0.0 111.059 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -100.28 -12.37 19.56 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 -170.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.15 59.62 5.32 Favored Glycine 0 CA--C 1.54 1.635 0 N-CA-C 114.935 0.734 . . . . 0.0 114.935 -176.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.1 p30 -114.6 -15.52 11.97 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 118.124 0.962 . . . . 0.0 111.949 175.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.96 -10.46 44.39 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 121.701 -0.285 . . . . 0.0 113.304 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -126.57 157.5 38.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 122.153 0.977 . . . . 0.0 110.985 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.535 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 54.0 t -113.68 107.46 22.99 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -173.011 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -76.6 -173.04 2.41 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -178.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -65.72 -50.93 63.04 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.32 177.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -59.11 -34.03 71.54 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.284 1.034 . . . . 0.0 112.448 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -76.46 -36.78 57.69 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.604 -177.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -70.09 -44.83 68.25 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.734 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.544 ' HA ' HG21 ' A' ' 12' ' ' ILE . 55.7 t -63.88 -46.91 92.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 O-C-N 123.886 0.741 . . . . 0.0 111.884 -176.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.445 ' HB2' HD11 ' A' ' 57' ' ' ILE . 91.5 mm-40 -68.94 -24.23 64.25 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -176.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -83.03 -33.66 26.43 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 119.765 -0.159 . . . . 0.0 110.976 175.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 60.4 mmm -76.09 -38.51 56.88 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -175.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.5 p . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -176.084 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.5 m . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -78.04 -25.17 47.67 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.745 0.783 . . . . 0.0 109.915 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.555 ' HA ' ' HG3' ' A' ' 13' ' ' ARG . 46.2 mt-10 -77.83 -21.06 52.08 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.533 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -61.52 -36.04 79.41 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.739 0.781 . . . . 0.0 110.263 167.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.534 HG21 ' HA ' ' A' ' 69' ' ' VAL . 19.2 mm -75.68 -21.84 16.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 114.455 -1.248 . . . . 0.0 111.005 -174.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.555 ' HG3' ' HA ' ' A' ' 10' ' ' GLU . 52.6 mtm180 -57.9 -43.46 86.15 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.474 0.309 . . . . 0.0 111.399 175.177 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.48 -37.94 77.48 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.75 0.82 . . . . 0.0 111.539 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.52 ' O ' ' HD1' ' A' ' 19' ' ' PHE . . . -66.03 -42.16 89.98 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 123.051 0.219 . . . . 0.0 110.67 175.164 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -61.84 -30.21 70.69 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.161 0.985 . . . . 0.0 111.399 175.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -74.88 -23.65 58.42 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.17 0.988 . . . . 0.0 111.721 -175.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -75.86 -41.42 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 173.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.52 ' HD1' ' O ' ' A' ' 15' ' ' ALA . 60.9 m-85 -78.21 -33.8 49.72 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 114.64 -1.164 . . . . 0.0 112.115 -170.495 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -87.5 108.21 18.92 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 173.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.503 ' HE2' HG22 ' A' ' 35' ' ' VAL . 72.3 mmtt -78.58 -25.25 45.24 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.62 0.971 . . . . 0.0 113.62 -176.183 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -100.99 -11.27 19.82 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -177.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.86 40.94 93.72 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 114.844 0.697 . . . . 0.0 114.844 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -98.84 -18.22 18.03 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 118.492 1.146 . . . . 0.0 112.314 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.66 10.96 34.14 Favored Glycine 0 C--O 1.222 -0.654 0 C-N-CA 120.61 -0.805 . . . . 0.0 113.544 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.537 ' CE1' ' HB3' ' A' ' 64' ' ' ASN . 39.4 m-85 -141.46 130.3 23.01 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 117.162 0.481 . . . . 0.0 110.155 174.487 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.4 mt -100.71 119.47 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.3 p -96.69 178.49 5.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.134 175.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.77 -23.08 60.76 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.891 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.88 -38.01 70.08 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 120.474 0.178 . . . . 0.0 110.922 176.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 35' ' ' VAL . 41.1 mt-10 -70.62 -49.63 45.57 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.957 0.786 . . . . 0.0 111.043 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.4 tp -66.97 -28.77 68.54 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 123.97 0.794 . . . . 0.0 112.095 -176.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.607 ' HA ' HG21 ' A' ' 48' ' ' VAL . 56.5 ttt-85 -67.88 -37.53 81.9 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.129 0.172 . . . . 0.0 110.889 178.058 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -69.59 -39.39 77.3 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.088 176.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.505 HG21 ' HA ' ' A' ' 19' ' ' PHE . 43.0 t -68.22 -41.93 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 O-C-N 123.249 0.343 . . . . 0.0 111.355 -178.226 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.8 mmt -62.48 -46.99 85.94 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 122.622 0.369 . . . . 0.0 111.835 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.7 m -72.75 -24.84 61.01 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.584 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -71.03 -45.25 64.23 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 122.876 0.47 . . . . 0.0 110.764 175.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.55 -20.12 60.72 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.424 -175.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.22 18.38 9.25 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.654 -0.784 . . . . 0.0 113.181 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -84.3 -43.58 14.67 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 176.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? 59.43 90.31 0.05 Allowed 'General case' 0 N--CA 1.473 0.69 0 O-C-N 125.301 1.625 . . . . 0.0 109.478 -174.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.499 ' HG ' ' HB2' ' A' ' 47' ' ' GLU . 5.3 tp -124.84 135.89 53.33 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.753 -174.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.1 p -77.41 168.6 19.75 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.428 0.455 . . . . 0.0 110.164 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -63.12 -30.48 71.63 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -177.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 40.2 mt-10 -72.17 -41.83 66.61 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.67 0.606 . . . . 0.0 111.166 177.062 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.499 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 47.7 mt-10 -71.51 -33.12 68.94 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 123.448 0.468 . . . . 0.0 111.057 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.607 HG21 ' HA ' ' A' ' 33' ' ' ARG . 45.1 t -70.63 -35.27 60.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 123.697 0.799 . . . . 0.0 111.001 175.638 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -67.1 -31.91 72.71 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 122.61 0.364 . . . . 0.0 111.263 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 7.7 mm-40 -65.67 -35.84 81.93 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.655 0.382 . . . . 0.0 110.711 173.196 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 94.8 mmm -76.72 -31.56 57.23 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.694 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.2 mm -67.45 -46.08 84.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.82 0 O-C-N 123.581 0.551 . . . . 0.0 110.669 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.9 ptt85 -73.68 -21.0 60.39 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 123.42 0.45 . . . . 0.0 111.971 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -77.05 -31.58 56.28 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 122.819 0.448 . . . . 0.0 110.693 175.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.55 -16.11 29.4 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.938 178.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -87.04 122.53 30.99 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.333 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 74.2 mt -79.88 -34.82 15.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.069 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -104.18 -11.1 17.46 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -171.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.89 41.17 62.73 Favored Glycine 0 CA--C 1.538 1.518 0 CA-C-O 119.162 -0.799 . . . . 0.0 114.964 -177.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.5 p30 -94.46 -16.01 23.74 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 118.367 1.084 . . . . 0.0 112.462 176.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.07 3.7 56.76 Favored Glycine 0 CA--C 1.527 0.824 0 O-C-N 123.214 0.321 . . . . 0.0 113.332 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.423 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 32.6 mt-30 -135.86 137.17 41.19 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.894 0.855 . . . . 0.0 109.784 178.218 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.8 t -104.92 109.12 26.62 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.693 -175.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.537 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 4.4 p30 -87.38 -175.96 5.45 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.253 177.44 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.4 ' O ' HG23 ' A' ' 69' ' ' VAL . 57.1 t80 -51.54 -53.41 38.13 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 123.906 0.882 . . . . 0.0 113.226 -177.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.55 -28.61 63.98 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -175.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.35 -36.44 76.9 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 123.558 0.536 . . . . 0.0 110.895 175.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -75.99 -40.17 54.3 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.084 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.534 ' HA ' HG21 ' A' ' 12' ' ' ILE . 72.4 t -61.33 -44.04 97.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 122.877 0.471 . . . . 0.0 110.748 177.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -67.79 -20.76 65.24 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -84.04 -28.15 27.84 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 122.164 -0.335 . . . . 0.0 110.649 175.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 79.2 mmm -86.28 -49.08 7.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.549 -175.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.6 p . . . . . 0 CA--C 1.532 0.257 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -173.265 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.521 ' O ' HG12 ' A' ' 12' ' ' ILE . 79.9 p . . . . . 0 CA--C 1.522 -0.106 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.8 -16.4 62.18 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 122.735 0.414 . . . . 0.0 111.422 178.032 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.559 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 43.3 mt-10 -71.73 -27.56 63.09 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.882 0.473 . . . . 0.0 111.222 174.624 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -85.06 -27.33 26.41 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.048 0.452 . . . . 0.0 110.141 173.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.521 HG12 ' O ' ' A' ' 8' ' ' SER . 31.8 mm -68.93 -21.94 26.0 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.901 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.1 176.028 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.559 ' HD3' ' HA ' ' A' ' 10' ' ' GLU . 16.2 mtp180 -56.38 -41.63 76.54 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.067 0.547 . . . . 0.0 112.143 168.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -81.37 -35.27 31.02 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.581 0.352 . . . . 0.0 111.16 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.82 -26.52 66.11 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.924 0.392 . . . . 0.0 111.327 177.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -69.87 -32.67 71.16 Favored 'General case' 0 C--O 1.207 -1.162 0 C-N-CA 123.413 0.685 . . . . 0.0 110.218 173.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -80.05 -14.84 58.23 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -177.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.41 -34.36 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 172.029 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -87.91 -44.57 10.95 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.496 -175.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -84.5 107.09 16.55 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 174.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -78.1 -33.76 50.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.783 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -91.42 -12.32 35.11 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -171.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.14 46.4 94.07 Favored Glycine 0 CA--C 1.529 0.961 0 CA-C-O 119.372 -0.682 . . . . 0.0 114.624 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -99.84 -14.52 18.75 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.142 0.971 . . . . 0.0 111.891 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.442 ' O ' ' HA ' ' A' ' 64' ' ' ASN . . . 100.1 10.58 45.19 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.781 -178.284 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.49 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 52.5 m-85 -140.66 130.52 24.48 Favored 'General case' 0 CA--C 1.524 -0.033 0 C-N-CA 123.396 0.678 . . . . 0.0 110.419 178.641 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.4 mt -95.8 107.41 19.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 169.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.7 p -84.26 177.43 8.19 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.354 177.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.466 ' O ' ' HB2' ' A' ' 33' ' ' ARG . . . -70.61 -21.51 62.64 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.697 178.258 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.22 -36.19 63.93 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.487 0.184 . . . . 0.0 110.92 175.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -74.22 -44.61 52.52 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.863 -177.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.403 HD23 HG13 ' A' ' 48' ' ' VAL . 23.3 tp -69.61 -31.38 69.48 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.504 0.502 . . . . 0.0 110.902 179.081 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 63.4 ttt-85 -65.82 -34.18 77.57 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.143 0.577 . . . . 0.0 111.165 176.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -78.94 -41.9 28.23 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.031 -175.004 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.454 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 27.7 m -76.78 -33.73 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -174.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.507 ' HG3' HD22 ' A' ' 43' ' ' LEU . 21.2 mmt -66.85 -50.54 62.18 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 117.866 0.303 . . . . 0.0 110.993 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.7 m -60.47 -32.04 71.02 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 124.209 0.943 . . . . 0.0 111.708 177.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -72.16 -33.8 67.99 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 122.82 0.448 . . . . 0.0 111.775 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 95.3 mt -73.5 -25.29 60.37 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 122.407 0.283 . . . . 0.0 111.746 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.52 -5.31 8.66 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.366 177.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -98.37 132.5 43.79 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -104.6 76.41 1.29 Allowed 'General case' 0 C--N 1.295 -1.783 0 CA-C-O 121.677 0.751 . . . . 0.0 110.758 -170.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.507 HD22 ' HG3' ' A' ' 36' ' ' MET . 4.9 mp -81.93 122.7 28.09 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.085 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.1 p -76.3 177.21 7.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.718 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -65.73 -28.89 69.38 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -71.23 -45.94 62.2 Favored 'General case' 0 C--O 1.223 -0.339 0 O-C-N 123.85 0.719 . . . . 0.0 109.915 175.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.3 -43.0 87.51 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.925 0.765 . . . . 0.0 112.207 -177.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.403 HG13 HD23 ' A' ' 32' ' ' LEU . 93.0 t -64.44 -41.8 93.4 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.448 0 O-C-N 123.855 0.722 . . . . 0.0 110.779 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -58.62 -43.85 89.79 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.235 0.614 . . . . 0.0 112.112 178.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.493 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 47.3 mt-10 -75.2 -29.82 60.44 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.68 -178.338 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 93.0 mmm -73.55 -31.08 63.46 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 121.977 0.111 . . . . 0.0 111.244 175.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 21.2 mm -68.71 -48.87 69.17 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.754 0 O-C-N 123.606 0.566 . . . . 0.0 110.828 175.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.493 ' HG2' ' HA ' ' A' ' 50' ' ' GLU . 14.1 ptp180 -73.16 -25.65 60.89 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -173.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -85.78 -11.05 54.51 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.986 0.422 . . . . 0.0 111.366 177.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.97 -13.64 19.01 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.691 173.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -94.97 121.61 36.76 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.348 -175.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 82.1 mt -79.69 -46.83 22.47 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.554 -175.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -86.12 -11.89 51.45 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -171.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.87 43.75 57.68 Favored Glycine 0 CA--C 1.534 1.249 0 N-CA-C 114.792 0.677 . . . . 0.0 114.792 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 45.4 p30 -99.98 -15.82 18.16 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.032 0.916 . . . . 0.0 111.664 176.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.44 0.86 62.65 Favored Glycine 0 CA--C 1.532 1.131 0 CA-C-O 119.668 -0.518 . . . . 0.0 114.231 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.49 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 23.3 mt-30 -136.07 131.03 34.34 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.049 0.925 . . . . 0.0 109.975 175.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 54.6 t -90.09 109.66 20.93 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.268 -170.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' A' ' 25' ' ' GLY . 50.0 m-80 -64.04 178.79 0.61 Allowed 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.664 0.745 . . . . 0.0 112.329 177.043 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -58.24 -47.08 84.64 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.033 165.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.543 ' HG3' ' HG3' ' A' ' 67' ' ' GLU . 7.9 pt-20 -58.87 -40.83 85.52 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.38 0.672 . . . . 0.0 112.389 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.543 ' HG3' ' HG3' ' A' ' 66' ' ' GLU . 52.2 mt-10 -76.88 -32.82 57.74 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.062 -174.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -77.11 -30.28 55.17 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-O 118.993 -0.527 . . . . 0.0 110.559 176.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.516 ' HA ' HG21 ' A' ' 12' ' ' ILE . 31.1 t -64.27 -46.84 92.12 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.92 0 CA-C-N 117.984 0.356 . . . . 0.0 110.105 174.214 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -71.01 -24.65 62.41 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.34 0.59 . . . . 0.0 112.044 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -73.71 -33.03 64.21 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.107 0.963 . . . . 0.0 110.654 173.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 63.5 mmm -91.08 -23.54 20.29 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -175.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.6 p . . . . . 0 C--O 1.235 0.31 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -177.499 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.0 m . . . . . 0 CA--C 1.529 0.135 0 N-CA-C 111.48 0.178 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -63.99 -32.54 74.12 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.332 0.653 . . . . 0.0 111.067 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -72.19 -22.93 61.2 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.855 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -84.69 -24.03 29.12 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 120.631 0.253 . . . . 0.0 110.649 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.58 HG21 ' HA ' ' A' ' 69' ' ' VAL . 18.7 mm -71.0 -22.86 23.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.224 176.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.521 ' HG2' ' CE1' ' A' ' 65' ' ' TYR . 56.4 mtm180 -60.07 -39.96 87.87 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.907 0.483 . . . . 0.0 111.612 177.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -76.56 -39.2 53.49 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.583 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.19 -35.26 79.72 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 123.814 0.696 . . . . 0.0 111.312 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -62.23 -35.24 78.31 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.692 0.797 . . . . 0.0 111.755 177.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 45.7 mtm180 -77.96 -16.84 57.84 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -176.279 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -85.4 -37.88 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 174.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -74.42 -31.81 62.44 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.656 -176.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -83.34 106.15 14.87 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 172.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -78.12 -21.92 49.63 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -174.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -104.7 -11.19 17.0 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -177.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.54 37.55 78.18 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 114.997 0.759 . . . . 0.0 114.997 177.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -100.81 -10.88 20.33 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 118.6 1.2 . . . . 0.0 112.891 -177.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.65 13.73 46.34 Favored Glycine 0 C--N 1.334 0.42 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.916 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.565 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 69.6 m-85 -142.4 130.15 21.59 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 123.904 0.881 . . . . 0.0 109.816 -178.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' A' ' 63' ' ' VAL . 69.4 mt -102.23 118.52 49.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.666 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.2 p -92.25 177.49 6.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.48 177.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.85 -24.81 62.59 Favored 'General case' 0 C--O 1.208 -1.084 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.856 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.03 -30.46 44.18 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 122.132 -0.355 . . . . 0.0 111.467 177.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -73.39 -44.93 57.53 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 123.217 0.323 . . . . 0.0 111.519 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.9 tp -71.4 -29.82 65.38 Favored 'General case' 0 C--O 1.22 -0.448 0 O-C-N 123.72 0.637 . . . . 0.0 110.521 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.454 ' HA ' HG21 ' A' ' 48' ' ' VAL . 5.5 ttp180 -65.85 -38.16 88.12 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.756 174.187 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -74.32 -37.31 63.64 Favored 'General case' 0 N--CA 1.438 -1.026 0 O-C-N 123.787 0.679 . . . . 0.0 109.55 -171.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.8 m -76.87 -27.85 16.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.9 mmt -70.54 -40.26 73.52 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 121.132 0.491 . . . . 0.0 110.666 175.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 26.9 m -72.88 -32.59 65.49 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.877 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -67.77 -32.58 73.27 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.874 0.47 . . . . 0.0 112.125 175.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.0 mt -77.36 -8.16 57.24 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 122.647 0.379 . . . . 0.0 111.979 178.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.19 3.47 79.0 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 121.74 -0.267 . . . . 0.0 113.006 177.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -80.9 -37.17 30.15 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 76.7 tttt 62.11 81.64 0.19 Allowed 'General case' 0 C--N 1.349 0.549 0 O-C-N 125.213 1.571 . . . . 0.0 111.362 171.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 tp -98.41 137.96 36.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.025 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -75.71 168.03 20.78 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.16 0.288 . . . . 0.0 111.413 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -59.55 -41.61 90.51 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.51 -173.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 40.2 mt-10 -74.29 -36.13 63.74 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.913 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.04 -37.44 87.59 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.695 0.398 . . . . 0.0 112.013 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.454 HG21 ' HA ' ' A' ' 33' ' ' ARG . 93.3 t -70.73 -32.97 50.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.711 179.095 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -69.43 -30.74 68.74 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.105 0.162 . . . . 0.0 110.646 176.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 12.7 mm-40 -67.4 -32.89 74.1 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 122.872 0.469 . . . . 0.0 111.14 171.486 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 99.1 mmm -76.6 -28.25 56.09 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.071 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.8 mm -69.31 -42.4 81.29 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.882 0 O-C-N 123.376 0.422 . . . . 0.0 110.752 176.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.7 ptt85 -73.4 -22.7 60.18 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.233 0.47 . . . . 0.0 112.074 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -82.22 -16.66 48.82 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.074 0.149 . . . . 0.0 111.365 175.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.56 -32.97 11.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.93 0.395 . . . . 0.0 111.26 177.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -83.48 118.86 24.05 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.659 0.742 . . . . 0.0 110.58 -174.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 58.1 mt -79.99 -47.41 21.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 114.056 -1.429 . . . . 0.0 110.785 -178.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -88.22 -12.18 44.53 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -165.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.41 56.61 7.47 Favored Glycine 0 CA--C 1.534 1.27 0 N-CA-C 114.397 0.519 . . . . 0.0 114.397 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.9 p30 -115.34 -15.26 11.58 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 117.551 0.676 . . . . 0.0 112.513 175.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.55 -16.08 56.75 Favored Glycine 0 CA--C 1.534 1.228 0 N-CA-C 114.406 0.522 . . . . 0.0 114.406 -178.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.565 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 66.4 mt-30 -125.91 133.7 51.8 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 122.026 0.917 . . . . 0.0 110.654 -179.044 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.415 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 61.2 t -97.64 110.32 25.17 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 CA-C-N 113.85 -1.523 . . . . 0.0 108.777 -168.154 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.5 -173.63 3.44 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.521 ' CE1' ' HG2' ' A' ' 13' ' ' ARG . 35.5 t80 -59.27 -53.02 62.98 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.21 176.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.84 -29.72 70.88 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -76.21 -35.61 58.98 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.023 0.529 . . . . 0.0 111.022 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -72.04 -33.09 67.72 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.948 178.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.58 ' HA ' HG21 ' A' ' 12' ' ' ILE . 80.6 t -67.02 -38.44 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 122.677 0.391 . . . . 0.0 111.007 -178.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -68.13 -33.04 73.75 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -81.05 -20.03 42.53 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.372 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 78.6 mmm -89.4 -26.76 20.84 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.3 p . . . . . 0 C--O 1.233 0.221 0 CA-C-O 120.978 0.418 . . . . 0.0 110.882 178.344 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.452 ' O ' HG12 ' A' ' 12' ' ' ILE . 50.7 m . . . . . 0 CA--C 1.53 0.195 0 CA-C-O 120.482 0.182 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -59.35 -34.3 72.2 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.156 0.982 . . . . 0.0 113.101 -172.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -67.21 -33.02 74.49 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.773 0.829 . . . . 0.0 112.157 177.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -78.14 -28.47 48.44 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.614 0.245 . . . . 0.0 110.636 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.586 HG21 ' HA ' ' A' ' 69' ' ' VAL . 16.5 mm -69.45 -22.18 25.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.642 178.558 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HG2' ' CE1' ' A' ' 65' ' ' TYR . 67.3 mtp180 -58.12 -47.0 84.64 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.758 0.423 . . . . 0.0 111.75 175.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -81.74 -30.56 32.39 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.036 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.01 -29.72 70.66 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 122.656 0.383 . . . . 0.0 111.544 176.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -68.73 -35.23 76.85 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.515 175.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.6 mtt180 -74.3 -18.16 60.75 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -176.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.96 -38.01 35.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 174.478 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -80.28 -42.55 22.91 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.71 -175.241 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.91 105.69 13.23 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.349 178.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -78.47 -29.5 46.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.845 -1.07 . . . . 0.0 112.764 -176.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -96.15 -11.7 25.81 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -174.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.89 25.41 75.81 Favored Glycine 0 CA--C 1.535 1.286 0 N-CA-C 115.523 0.969 . . . . 0.0 115.523 177.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -85.21 -16.31 40.72 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 118.734 1.267 . . . . 0.0 112.274 -177.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.91 10.51 52.22 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.856 -0.688 . . . . 0.0 113.113 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.531 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 69.2 m-85 -138.91 129.87 26.49 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.302 0.641 . . . . 0.0 109.934 177.072 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.9 mt -92.33 109.15 21.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 176.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 76.2 p -82.04 173.32 12.28 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.212 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.69 -26.57 65.36 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.644 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.75 -35.5 72.68 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 122.419 0.288 . . . . 0.0 111.579 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 35' ' ' VAL . 41.6 mt-10 -72.18 -51.74 19.81 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.323 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.5 tp -66.99 -31.38 71.9 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 123.888 0.742 . . . . 0.0 111.614 -176.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.609 ' HA ' HG21 ' A' ' 48' ' ' VAL . 34.0 ttt180 -64.14 -43.65 94.57 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.118 0.567 . . . . 0.0 110.91 177.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -71.32 -35.07 71.11 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.004 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 31' ' ' GLU . 97.1 t -66.74 -45.46 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 122.683 0.393 . . . . 0.0 110.913 177.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.424 ' HB3' ' HB2' ' A' ' 43' ' ' LEU . 23.0 mmt -61.44 -43.98 97.91 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.053 0.541 . . . . 0.0 111.815 178.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 90.3 m -65.64 -39.39 91.39 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.517 177.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -68.34 -36.77 79.74 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.4 0.68 . . . . 0.0 111.946 -177.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.1 mt -80.95 -24.03 38.39 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.0 -177.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.15 24.6 4.13 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.434 174.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.419 ' HB3' HD13 ' A' ' 43' ' ' LEU . 6.5 mp0 -95.57 -33.66 12.31 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 122.481 0.313 . . . . 0.0 110.416 176.108 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 61.79 32.82 18.06 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 124.711 1.257 . . . . 0.0 112.395 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.424 ' HB2' ' HB3' ' A' ' 36' ' ' MET . 2.4 mp -61.83 124.44 20.76 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 123.505 0.503 . . . . 0.0 110.691 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.1 p -73.05 174.34 8.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.987 -177.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.31 -33.38 75.69 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.106 -177.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.16 -44.5 79.58 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.236 175.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -67.66 -36.7 81.21 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.609 HG21 ' HA ' ' A' ' 33' ' ' ARG . 92.5 t -70.85 -31.12 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.363 178.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.66 -33.75 76.69 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 122.236 0.214 . . . . 0.0 110.863 176.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.418 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 5.3 mm-40 -69.39 -37.71 77.65 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.122 0.569 . . . . 0.0 111.197 175.114 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.4 mmt -72.34 -33.75 67.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.712 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.5 mm -70.72 -41.73 77.61 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 O-C-N 123.35 0.406 . . . . 0.0 110.443 176.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.418 ' HG2' ' HA ' ' A' ' 50' ' ' GLU . 25.9 ptt180 -71.92 -22.26 61.5 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -175.537 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -90.71 -21.14 21.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.733 0.301 . . . . 0.0 111.225 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.79 -19.78 23.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.459 177.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.37 111.6 21.93 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.692 0.758 . . . . 0.0 110.777 -175.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.485 HD11 ' HB2' ' A' ' 70' ' ' GLN . 63.6 mt -79.68 -42.46 22.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.993 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -89.34 -12.07 41.53 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -170.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.53 57.41 8.2 Favored Glycine 0 CA--C 1.536 1.384 0 N-CA-C 114.878 0.711 . . . . 0.0 114.878 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.6 p30 -115.45 -15.99 11.44 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 117.705 0.753 . . . . 0.0 112.267 174.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.5 -6.87 49.93 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 120.83 -0.7 . . . . 0.0 114.651 -178.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.531 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 35.7 mt-30 -138.1 134.02 34.16 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.01 0.905 . . . . 0.0 111.091 177.651 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.4 t -89.11 105.54 16.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 CA-C-N 114.593 -1.185 . . . . 0.0 110.665 -169.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -83.12 -177.07 6.63 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 121.32 -0.152 . . . . 0.0 110.717 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.402 ' CE1' ' HG2' ' A' ' 13' ' ' ARG . 62.1 t80 -50.23 -54.24 22.45 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -176.42 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.21 -27.89 65.88 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 118.063 0.392 . . . . 0.0 112.011 -175.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -72.97 -34.39 66.44 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.212 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.519 ' HA ' ' HB3' ' A' ' 71' ' ' HIS . 63.6 t80 -83.95 -25.07 30.37 Favored 'General case' 0 C--O 1.209 -1.04 0 C-N-CA 123.544 0.738 . . . . 0.0 111.17 178.291 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.586 ' HA ' HG21 ' A' ' 12' ' ' ILE . 64.2 t -67.83 -47.77 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-N 118.454 0.57 . . . . 0.0 109.684 172.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.485 ' HB2' HD11 ' A' ' 57' ' ' ILE . 17.2 mm100 -72.4 -21.09 61.32 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 177.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.519 ' HB3' ' HA ' ' A' ' 68' ' ' PHE . 10.6 t-160 -68.25 -50.03 56.7 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.496 0.718 . . . . 0.0 109.291 168.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 57.0 mmm -75.96 -25.56 56.01 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -171.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.3 p . . . . . 0 CA--C 1.533 0.295 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 179.305 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.437 ' O ' HG12 ' A' ' 12' ' ' ILE . 5.6 t . . . . . 0 CA--C 1.543 0.707 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.38 -19.93 62.44 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.284 1.033 . . . . 0.0 113.018 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -70.85 -32.92 70.09 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.908 0.883 . . . . 0.0 111.379 178.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.32 -25.87 31.1 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.073 178.206 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.526 HG21 ' HA ' ' A' ' 69' ' ' VAL . 22.4 mm -66.46 -23.01 30.8 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.089 176.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.515 ' HG2' ' CE1' ' A' ' 65' ' ' TYR . 98.1 mtt180 -64.23 -38.57 91.52 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.828 0.451 . . . . 0.0 111.731 172.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 38.9 tt0 -80.18 -27.62 38.9 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.299 179.193 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.84 -26.45 60.59 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.006 0.431 . . . . 0.0 110.741 174.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -71.8 -38.92 70.19 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.861 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -75.92 -14.63 60.26 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -177.057 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.0 t -69.98 -49.05 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 170.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.553 ' HA ' HG21 ' A' ' 35' ' ' VAL . 53.5 m-85 -77.12 -34.77 56.69 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.277 -1.329 . . . . 0.0 111.968 -172.241 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -84.34 109.2 17.64 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 172.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.8 mmmp? -77.64 -27.04 50.91 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -176.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -103.86 -11.8 17.29 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -174.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.36 37.6 79.97 Favored Glycine 0 CA--C 1.531 1.034 0 CA-C-O 118.987 -0.896 . . . . 0.0 114.82 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -96.85 -18.64 19.41 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.809 1.305 . . . . 0.0 112.167 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.61 14.46 19.65 Favored Glycine 0 C--O 1.221 -0.684 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.283 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -142.3 130.06 21.61 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.546 0.738 . . . . 0.0 110.747 176.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 53.5 mt -97.42 114.63 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 175.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.4 p -90.61 178.49 6.07 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 178.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.42 ' O ' HG11 ' A' ' 48' ' ' VAL . . . -67.27 -27.5 67.25 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.388 177.059 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.42 -28.97 52.75 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 122.16 -0.338 . . . . 0.0 111.494 177.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.43 -44.33 25.05 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.552 HD23 HG13 ' A' ' 48' ' ' VAL . 38.2 tp -67.36 -35.64 79.77 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.346 0.404 . . . . 0.0 110.481 177.556 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.4 ttt-85 -59.47 -44.16 93.07 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.579 0.752 . . . . 0.0 111.59 177.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -65.88 -43.9 86.95 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 123.685 0.615 . . . . 0.0 111.394 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.553 HG21 ' HA ' ' A' ' 19' ' ' PHE . 37.0 t -79.76 -31.26 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 O-C-N 123.179 0.299 . . . . 0.0 111.571 -172.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.1 mmt -64.64 -44.01 91.85 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.688 0.28 . . . . 0.0 111.25 173.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' A' ' 42' ' ' LYS . 62.9 m -65.26 -32.29 73.88 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.153 175.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -69.55 -33.29 72.55 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.306 0.642 . . . . 0.0 111.678 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.8 mt -81.17 -12.4 59.21 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.57 -1.95 53.15 Favored Glycine 0 C--N 1.336 0.558 0 C-N-CA 121.335 -0.459 . . . . 0.0 112.879 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -82.25 -20.78 36.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 119.421 -0.323 . . . . 0.0 111.7 -178.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 37' ' ' THR . 54.8 pttt 38.71 69.66 0.25 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 126.385 1.874 . . . . 0.0 114.356 177.238 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.498 ' HG ' ' HB2' ' A' ' 47' ' ' GLU . 6.4 tp -85.29 124.78 32.31 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.491 -1.232 . . . . 0.0 109.04 -176.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.4 p -81.11 175.07 10.97 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.263 0.352 . . . . 0.0 110.915 -177.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -56.65 -38.82 72.68 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -173.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -75.27 -36.0 61.26 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 122.578 0.351 . . . . 0.0 111.15 -177.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.498 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 16.7 mm-40 -73.48 -37.64 65.69 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.787 -178.115 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.552 HG13 HD23 ' A' ' 32' ' ' LEU . 70.3 t -66.41 -39.49 84.2 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.51 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.614 176.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -56.48 -42.02 77.56 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 123.815 0.697 . . . . 0.0 112.235 178.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.425 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 40.8 mt-10 -77.04 -26.67 53.93 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.815 -178.083 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 97.8 mmm -76.68 -33.2 58.27 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 117.381 0.082 . . . . 0.0 111.048 173.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.7 mm -65.24 -48.1 84.79 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 O-C-N 123.775 0.672 . . . . 0.0 110.658 176.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.425 ' HG2' ' HA ' ' A' ' 50' ' ' GLU . 16.3 ptm180 -71.72 -23.05 61.56 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -176.525 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -78.85 -31.19 45.53 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.493 0.317 . . . . 0.0 111.402 175.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.52 -18.89 34.27 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.023 0.44 . . . . 0.0 111.591 177.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -90.82 119.47 31.06 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.738 0.78 . . . . 0.0 110.815 -173.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.4 mt -79.81 -45.37 23.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.307 -177.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 p30 -88.76 -11.48 44.89 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -168.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.99 53.91 10.14 Favored Glycine 0 CA--C 1.535 1.338 0 N-CA-C 114.813 0.685 . . . . 0.0 114.813 -178.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.3 p30 -112.9 -16.2 12.75 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 117.717 0.758 . . . . 0.0 112.009 175.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.48 2.28 67.95 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-O 119.698 -0.501 . . . . 0.0 113.961 -178.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -132.25 130.58 41.12 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 117.832 0.816 . . . . 0.0 109.156 174.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.4 t -96.61 105.46 17.12 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.252 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.427 -170.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.9 p30 -77.18 -171.1 1.92 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 121.112 -0.235 . . . . 0.0 111.283 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.515 ' CE1' ' HG2' ' A' ' 13' ' ' ARG . 62.1 t80 -60.6 -50.36 73.82 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.345 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.03 -25.22 61.72 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -175.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -75.32 -33.97 61.2 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.987 0.515 . . . . 0.0 110.763 177.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -74.45 -41.85 60.1 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.934 177.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.526 ' HA ' HG21 ' A' ' 12' ' ' ILE . 79.5 t -62.98 -41.74 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 O-C-N 123.674 0.608 . . . . 0.0 110.97 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -66.7 -33.81 76.46 Favored 'General case' 0 C--O 1.22 -0.498 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -71.73 -32.23 67.52 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 123.657 0.598 . . . . 0.0 110.992 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 76.6 mmm -75.94 -28.5 57.97 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 178.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 73.0 p . . . . . 0 CA--C 1.535 0.382 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.542 179.724 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.669 0.271 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -100.26 -53.7 3.06 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 174.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 32.5 ttp -150.25 134.99 17.54 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.489 -177.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -93.55 138.77 31.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.671 170.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -85.38 87.94 7.45 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.052 0.453 . . . . 0.0 110.043 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.467 HG21 HG22 ' A' ' 73' ' ' THR . 20.5 m -79.07 112.4 16.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.143 -176.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -96.13 84.54 3.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.679 -174.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.2 p 53.26 -161.32 0.12 Allowed 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 125.638 1.575 . . . . 0.0 113.003 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -78.81 -14.0 59.5 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 173.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.42 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 35.2 mt-10 -71.42 -33.62 69.58 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -175.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -70.48 -30.17 66.9 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 173.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.588 HG21 ' HA ' ' A' ' 69' ' ' VAL . 25.0 mm -79.36 -24.75 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.655 -179.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.42 ' HD2' ' HA ' ' A' ' 10' ' ' GLU . 98.8 mtt180 -67.99 -40.43 83.07 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.1 0.476 . . . . 0.0 110.679 173.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.486 ' HG3' HH21 ' A' ' 17' ' ' ARG . 39.8 tt0 -71.34 -37.33 71.71 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.884 176.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.31 84.86 Favored 'General case' 0 C--O 1.224 -0.28 0 O-C-N 123.116 0.26 . . . . 0.0 111.202 176.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -64.73 -36.1 83.21 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.436 0.694 . . . . 0.0 111.921 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.486 HH21 ' HG3' ' A' ' 14' ' ' GLU . 0.3 OUTLIER -80.16 -15.0 58.02 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -177.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 t -79.54 -49.97 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.716 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 170.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.549 ' HA ' HG21 ' A' ' 35' ' ' VAL . 31.9 m-85 -67.78 -26.23 66.0 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.204 -1.362 . . . . 0.0 112.354 -173.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -95.15 102.43 14.23 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.503 0.668 . . . . 0.0 109.309 168.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.11 -29.33 48.9 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 -179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -93.93 -12.08 29.57 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -173.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.22 38.68 58.85 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-O 119.223 -0.765 . . . . 0.0 114.897 177.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -101.58 -18.08 16.08 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.744 1.272 . . . . 0.0 112.043 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.19 14.2 42.9 Favored Glycine 0 C--O 1.223 -0.538 0 C-N-CA 121.091 -0.576 . . . . 0.0 113.015 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.564 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 74.8 m-85 -137.75 130.21 29.5 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.638 0.775 . . . . 0.0 109.402 176.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.0 mt -95.15 111.31 25.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.305 0.574 . . . . 0.0 109.587 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.8 m -90.56 174.87 7.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.256 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.08 -28.43 68.18 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.28 -31.43 69.93 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.9 0.381 . . . . 0.0 111.667 177.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -83.74 -43.62 15.29 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.557 -175.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.4 tp -63.89 -39.0 93.17 Favored 'General case' 0 C--O 1.223 -0.325 0 O-C-N 123.652 0.595 . . . . 0.0 110.64 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -61.57 -45.52 93.78 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 123.71 0.804 . . . . 0.0 111.23 176.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -65.42 -42.96 91.96 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 124.068 0.855 . . . . 0.0 111.14 -176.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.549 HG21 ' HA ' ' A' ' 19' ' ' PHE . 57.9 t -75.13 -29.54 21.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 O-C-N 123.388 0.43 . . . . 0.0 111.481 -176.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.8 mmt -64.94 -38.45 91.0 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 117.691 0.223 . . . . 0.0 110.983 172.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.8 m -69.17 -30.71 68.98 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 123.624 0.578 . . . . 0.0 110.602 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -73.91 -18.48 60.9 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.764 174.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 87.2 mt -88.67 -14.47 37.28 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 120.816 0.341 . . . . 0.0 110.654 175.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.59 -0.5 24.77 Favored Glycine 0 C--N 1.338 0.671 0 CA-C-N 116.136 -0.484 . . . . 0.0 113.468 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -113.5 133.07 55.43 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-O 121.428 0.632 . . . . 0.0 109.936 -174.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -103.94 105.03 15.09 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -175.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.421 ' HG ' ' HB2' ' A' ' 47' ' ' GLU . 3.3 tp -106.29 132.57 52.18 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.667 -174.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.0 p -81.44 175.86 10.19 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.715 -176.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -55.8 -45.19 78.32 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.296 1.038 . . . . 0.0 112.043 -176.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.492 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 8.7 mp0 -70.22 -39.02 75.34 Favored 'General case' 0 C--O 1.223 -0.342 0 O-C-N 123.976 0.798 . . . . 0.0 111.586 -177.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.421 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 50.9 mt-10 -71.58 -37.32 71.03 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.382 0.426 . . . . 0.0 112.072 -176.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.3 t -71.62 -35.77 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.51 -36.46 84.28 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 123.445 0.466 . . . . 0.0 110.987 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 24.0 mm-40 -61.82 -38.72 89.21 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.631 0.582 . . . . 0.0 111.415 173.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 57.2 mtp -77.51 -29.89 52.71 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.152 0.426 . . . . 0.0 112.152 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.3 mm -69.23 -45.66 78.95 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -72.79 -21.75 60.94 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 120.764 0.316 . . . . 0.0 111.455 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.424 ' HG2' ' CE1' ' A' ' 71' ' ' HIS . 28.3 tt0 -74.38 -40.27 62.17 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.889 0.876 . . . . 0.0 110.809 175.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.95 -29.7 21.86 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -174.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -82.2 118.53 23.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.178 0.513 . . . . 0.0 110.481 -174.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.469 HD11 ' HB2' ' A' ' 70' ' ' GLN . 90.5 mt -78.3 -40.3 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.307 -174.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.3 p30 -90.89 -12.24 36.74 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -172.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.73 45.02 55.18 Favored Glycine 0 CA--C 1.539 1.56 0 N-CA-C 114.742 0.657 . . . . 0.0 114.742 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.7 p30 -102.05 -15.13 16.86 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 117.734 0.767 . . . . 0.0 111.156 175.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.45 -6.99 59.55 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-N 116.244 -0.435 . . . . 0.0 113.854 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.564 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 27.6 mt-30 -131.96 131.31 42.51 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-O 121.894 0.854 . . . . 0.0 110.471 178.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.92 101.44 12.11 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.281 -167.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -85.49 -169.85 2.84 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.89 176.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -57.22 -57.41 12.71 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -164.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.74 -34.7 76.28 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -177.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.426 ' HA ' HD12 ' A' ' 57' ' ' ILE . 44.7 mt-10 -69.08 -36.92 78.14 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 123.787 0.835 . . . . 0.0 111.17 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -74.03 -39.59 63.45 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.551 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.588 ' HA ' HG21 ' A' ' 12' ' ' ILE . 74.1 t -66.58 -49.21 76.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-O 119.094 -0.479 . . . . 0.0 111.758 -176.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.469 ' HB2' HD11 ' A' ' 57' ' ' ILE . 78.8 mm-40 -61.34 -36.09 79.22 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.677 0.611 . . . . 0.0 111.847 -177.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.424 ' CE1' ' HG2' ' A' ' 54' ' ' GLU . 61.4 t60 -74.83 -43.15 56.12 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 123.696 0.623 . . . . 0.0 111.22 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 53.4 mmm -67.29 -42.47 83.72 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -176.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.467 HG22 HG21 ' A' ' 6' ' ' THR . 47.5 p -80.36 -28.4 38.02 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -173.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.23 -15.55 37.86 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.9 tttm . . . . . 0 N--CA 1.463 0.221 0 CA-C-O 120.756 0.313 . . . . 0.0 110.371 -177.726 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.473 0.711 0 CA-C-O 121.583 0.706 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 37.1 tp -100.92 112.45 24.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.607 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -150.01 157.81 43.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.092 0.472 . . . . 0.0 111.237 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -107.57 163.01 13.43 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.133 -0.94 . . . . 0.0 108.465 168.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -66.49 -38.52 87.46 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.2 m 66.32 92.24 0.08 Allowed 'General case' 0 N--CA 1.47 0.528 0 O-C-N 124.697 1.248 . . . . 0.0 110.735 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.577 ' H ' ' HB2' ' A' ' 11' ' ' GLU . 19.2 m-20 -113.52 -112.76 0.34 Allowed 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.034 -1.439 . . . . 0.0 110.596 -171.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.458 ' O ' HG12 ' A' ' 12' ' ' ILE . 10.8 p -148.16 -96.22 0.08 Allowed 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 176.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -78.2 -25.04 46.92 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.384 0.674 . . . . 0.0 110.656 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -71.98 -26.14 62.13 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.136 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.577 ' HB2' ' H ' ' A' ' 7' ' ' ASP . 62.9 tt0 -82.95 -23.18 33.55 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.18 176.048 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.552 HG21 ' HA ' ' A' ' 69' ' ' VAL . 16.9 mm -73.55 -22.71 19.06 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.642 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -60.82 -41.72 96.29 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.811 0.444 . . . . 0.0 111.345 171.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -66.23 -41.29 90.25 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.034 0.934 . . . . 0.0 111.121 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.55 -32.46 68.15 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.413 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -71.46 -41.21 69.7 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 122.965 0.506 . . . . 0.0 111.153 -177.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -74.38 -24.87 59.2 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 123.318 0.386 . . . . 0.0 111.914 -175.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 p -88.22 -20.13 7.48 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 CA-C-O 120.668 0.27 . . . . 0.0 110.726 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -86.4 -35.02 19.99 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.48 176.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -80.36 106.43 12.36 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 173.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 69.5 mmtt -78.25 -28.45 47.75 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -177.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -96.81 -11.41 24.93 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -174.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.96 46.54 72.51 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 114.778 0.671 . . . . 0.0 114.778 177.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 -103.29 -11.84 17.67 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.327 1.064 . . . . 0.0 111.645 177.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.0 23.26 25.65 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 121.407 -0.425 . . . . 0.0 112.349 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.57 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 65.1 m-85 -148.72 130.51 15.11 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 124.119 0.968 . . . . 0.0 109.56 -177.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.2 mt -101.09 103.2 14.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 173.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.419 ' HB3' ' HG2' ' A' ' 62' ' ' GLN . 73.9 p -81.86 177.46 8.86 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 120.802 0.334 . . . . 0.0 110.711 178.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.532 ' HA ' HG13 ' A' ' 52' ' ' ILE . . . -70.34 -27.44 64.36 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.695 179.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.89 -29.88 63.51 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 120.629 0.252 . . . . 0.0 111.193 176.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -75.57 -45.57 37.04 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.895 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.1 tp -67.51 -32.8 73.86 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 123.377 0.423 . . . . 0.0 110.801 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.51 ' HA ' HG21 ' A' ' 48' ' ' VAL . 68.1 ttt180 -66.22 -36.12 82.21 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.029 0.532 . . . . 0.0 110.612 176.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -72.03 -39.18 69.33 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.572 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 99.6 t -68.38 -36.48 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 122.519 0.327 . . . . 0.0 111.016 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.4 mmt -68.82 -41.1 79.07 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 53.8 m -66.05 -36.76 84.09 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 120.937 0.399 . . . . 0.0 110.516 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -63.86 -44.52 92.85 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.225 1.01 . . . . 0.0 111.984 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -76.71 -4.12 41.63 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.333 0.653 . . . . 0.0 112.582 -176.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.27 -3.36 72.49 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.413 -0.422 . . . . 0.0 112.896 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -71.64 -37.9 70.79 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.097 0.559 . . . . 0.0 110.918 -174.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mttm 58.67 42.14 20.87 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 124.551 1.157 . . . . 0.0 111.516 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.4 tp -69.25 132.33 46.3 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.053 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.4 p -76.93 167.98 20.89 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.656 0.597 . . . . 0.0 111.655 -169.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.48 -36.67 74.1 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.49 0.716 . . . . 0.0 111.703 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 34.5 mt-10 -68.43 -48.56 64.28 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.036 178.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -67.91 -35.23 78.1 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.135 0.574 . . . . 0.0 112.299 -177.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.51 HG21 ' HA ' ' A' ' 33' ' ' ARG . 53.0 t -69.23 -39.77 79.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 122.762 0.425 . . . . 0.0 110.645 177.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -63.7 -34.71 78.47 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 123.438 0.461 . . . . 0.0 110.934 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 14.0 mm-40 -62.53 -41.11 98.65 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.638 0.586 . . . . 0.0 111.226 175.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 97.8 mmm -72.69 -33.83 66.76 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.361 0.413 . . . . 0.0 111.675 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.532 HG13 ' HA ' ' A' ' 29' ' ' ALA . 27.7 mm -68.34 -47.95 75.37 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.13 0 O-C-N 123.537 0.523 . . . . 0.0 110.774 177.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.1 ptt85 -70.95 -21.68 62.3 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -78.72 -33.76 46.49 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.034 0.934 . . . . 0.0 110.915 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.31 -28.66 22.13 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.671 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -83.91 124.58 31.15 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.568 -174.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 79.5 mt -80.2 -43.32 22.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 114.308 -1.315 . . . . 0.0 111.204 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -91.55 -11.43 37.33 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -170.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.52 48.91 33.83 Favored Glycine 0 CA--C 1.535 1.306 0 N-CA-C 114.559 0.584 . . . . 0.0 114.559 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.9 p30 -105.73 -16.01 14.8 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 117.747 0.774 . . . . 0.0 112.406 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.86 -7.8 57.57 Favored Glycine 0 CA--C 1.524 0.628 0 C-N-CA 121.018 -0.61 . . . . 0.0 113.928 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.57 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 32.2 mt-30 -131.22 131.29 43.84 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-O 122.169 0.985 . . . . 0.0 111.06 175.334 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.2 t -101.6 101.57 12.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 CA-C-N 113.619 -1.628 . . . . 0.0 108.638 -172.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -83.62 -172.0 3.9 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 119.083 -0.484 . . . . 0.0 111.132 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.402 ' O ' HG23 ' A' ' 69' ' ' VAL . 67.7 t80 -55.43 -58.62 6.98 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -165.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.496 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 1.6 pm0 -58.98 -40.96 86.38 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.808 0.843 . . . . 0.0 112.645 -178.473 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.84 -39.0 90.37 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.849 0.86 . . . . 0.0 111.777 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -73.57 -34.12 64.98 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.488 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.552 ' HA ' HG21 ' A' ' 12' ' ' ILE . 69.9 t -65.36 -43.98 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-O 119.212 -0.423 . . . . 0.0 110.641 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 82.1 mm-40 -61.99 -39.47 92.33 Favored 'General case' 0 C--O 1.22 -0.47 0 O-C-N 123.635 0.584 . . . . 0.0 111.908 -174.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -81.06 -31.18 34.57 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 123.211 0.32 . . . . 0.0 111.395 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 51.5 mmm -82.51 -7.91 59.63 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.0 p -117.56 -9.12 10.87 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -115.41 4.52 14.35 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.2 tttt . . . . . 0 N--CA 1.473 0.703 0 O-C-N 124.581 1.176 . . . . 0.0 111.452 179.369 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.2 p . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 110.541 -0.17 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.4 mp -78.43 120.84 23.74 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.139 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -108.7 145.52 34.93 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.007 -175.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -127.26 164.49 21.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.076 173.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -84.87 162.94 19.31 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 121.111 0.481 . . . . 0.0 111.196 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.439 HG22 ' OE1' ' A' ' 11' ' ' GLU . 40.9 p -89.1 94.01 9.79 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.143 -169.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -145.16 -57.44 0.33 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.808 -178.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.464 ' O ' HG12 ' A' ' 12' ' ' ILE . 50.6 m -81.87 157.89 24.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.144 0.497 . . . . 0.0 112.125 -176.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 1.8 mp0 -71.24 -24.13 62.13 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 114.54 -1.209 . . . . 0.0 111.723 -173.174 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -65.34 -37.43 87.05 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.493 0.717 . . . . 0.0 111.38 174.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.439 ' OE1' HG22 ' A' ' 6' ' ' THR . 13.8 tm-20 -70.75 -35.28 72.58 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 176.243 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.56 HG21 ' HA ' ' A' ' 69' ' ' VAL . 27.1 mm -68.65 -27.92 38.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.895 -178.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 95.9 mtt180 -68.39 -37.98 80.88 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.733 0.413 . . . . 0.0 111.251 173.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -70.63 -36.69 73.59 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.636 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.32 -42.36 83.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.799 174.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -60.53 -36.87 79.45 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.936 0.894 . . . . 0.0 112.421 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.68 -16.02 58.78 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -175.067 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -79.67 -44.09 23.26 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 171.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.511 ' HA ' HG21 ' A' ' 35' ' ' VAL . 41.7 m-85 -72.13 -31.25 65.83 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 114.561 -1.199 . . . . 0.0 112.423 -171.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -92.26 109.29 20.67 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 169.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.614 ' HE2' HG22 ' A' ' 35' ' ' VAL . 55.3 mttm -78.22 -27.0 47.63 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -99.22 -11.63 21.14 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -175.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.6 37.16 84.67 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-O 119.324 -0.709 . . . . 0.0 114.802 176.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -95.42 -18.9 20.33 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.407 1.103 . . . . 0.0 111.525 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.443 ' O ' ' HA ' ' A' ' 64' ' ' ASN . . . 105.17 6.59 39.15 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.856 -0.688 . . . . 0.0 113.042 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.442 ' CE1' ' HB3' ' A' ' 64' ' ' ASN . 73.2 m-85 -136.74 130.6 32.24 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 122.809 0.443 . . . . 0.0 110.326 177.017 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.4 mt -101.81 104.01 15.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.7 m -79.89 177.31 9.0 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.073 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.95 -25.8 62.89 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -176.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.81 -30.64 35.84 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 122.197 -0.314 . . . . 0.0 111.225 174.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 35' ' ' VAL . 41.6 mt-10 -71.0 -51.15 27.15 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 122.628 0.371 . . . . 0.0 111.532 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.508 HD23 HG13 ' A' ' 48' ' ' VAL . 30.2 tp -62.51 -37.09 84.7 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 124.199 0.937 . . . . 0.0 110.544 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.496 ' HA ' HG21 ' A' ' 48' ' ' VAL . 18.1 ttp85 -61.16 -43.18 99.28 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 124.01 0.819 . . . . 0.0 112.418 176.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -67.84 -39.8 83.79 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 124.075 0.859 . . . . 0.0 109.94 -175.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.614 HG22 ' HE2' ' A' ' 21' ' ' LYS . 21.6 t -75.07 -33.03 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 O-C-N 123.555 0.534 . . . . 0.0 111.262 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.421 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 21.1 mmt -61.51 -38.6 87.94 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 120.796 0.331 . . . . 0.0 111.091 174.3 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.406 HG23 ' HG2' ' A' ' 42' ' ' LYS . 90.2 m -65.18 -36.57 84.63 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.453 174.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -72.26 -28.54 63.2 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.041 0.537 . . . . 0.0 111.911 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 61.1 mt -79.36 -6.97 57.97 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.153 0.581 . . . . 0.0 111.435 177.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.56 -2.49 80.56 Favored Glycine 0 C--N 1.336 0.567 0 CA-C-N 116.329 -0.396 . . . . 0.0 112.993 177.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -79.97 -39.49 30.02 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 122.214 0.205 . . . . 0.0 110.736 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.406 ' HG2' HG23 ' A' ' 37' ' ' THR . 96.0 mttt 56.94 64.81 1.54 Allowed 'General case' 0 N--CA 1.472 0.651 0 O-C-N 124.928 1.393 . . . . 0.0 112.631 172.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.457 ' HB3' HG23 ' A' ' 48' ' ' VAL . 3.9 mp -80.75 138.43 36.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.765 176.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.4 p -75.33 168.86 19.19 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 123.352 0.407 . . . . 0.0 110.127 177.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -61.5 -34.72 75.97 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -173.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -74.8 -35.32 62.48 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -68.81 -39.98 79.78 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.91 0.386 . . . . 0.0 111.218 176.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.508 HG13 HD23 ' A' ' 32' ' ' LEU . 89.2 t -67.54 -34.93 71.37 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.39 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.376 176.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -66.66 -28.51 68.52 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 122.489 0.316 . . . . 0.0 111.32 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.66 -39.04 80.83 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.021 0.529 . . . . 0.0 110.925 172.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 98.2 mmm -72.67 -29.65 63.6 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.752 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 48' ' ' VAL . 28.7 mm -67.96 -50.6 57.78 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 C-N-CA 123.509 0.724 . . . . 0.0 110.729 176.392 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -69.56 -21.53 63.62 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.35 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.55 -39.89 44.33 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 120.979 0.419 . . . . 0.0 110.444 175.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.14 -28.84 31.96 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.07 121.88 26.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.331 0.586 . . . . 0.0 111.548 -172.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.481 HD11 ' HG3' ' A' ' 70' ' ' GLN . 83.9 mt -79.79 -47.75 21.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.718 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -89.98 -11.7 40.87 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -167.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.58 54.72 9.65 Favored Glycine 0 CA--C 1.534 1.245 0 N-CA-C 114.596 0.599 . . . . 0.0 114.596 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.3 p30 -111.48 -15.33 13.56 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 117.227 0.513 . . . . 0.0 111.533 173.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.03 6.42 69.37 Favored Glycine 0 CA--C 1.528 0.867 0 CA-C-N 116.026 -0.534 . . . . 0.0 113.585 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.418 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 3.6 mt-30 -134.36 130.66 37.24 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 176.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.7 t -97.69 110.06 24.71 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.16 -169.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.443 ' HA ' ' O ' ' A' ' 25' ' ' GLY . 28.4 p30 -78.79 -170.68 2.24 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.733 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -60.65 -53.08 61.75 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 8.1 pt-20 -70.93 -30.95 67.41 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -175.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -66.62 -36.6 82.97 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.133 0.573 . . . . 0.0 110.967 176.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -72.12 -39.63 68.72 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.703 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.56 ' HA ' HG21 ' A' ' 12' ' ' ILE . 71.1 t -63.95 -41.27 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 123.579 0.55 . . . . 0.0 111.072 -178.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.481 ' HG3' HD11 ' A' ' 57' ' ' ILE . 86.2 mm-40 -62.61 -38.83 91.73 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -74.95 -33.57 61.95 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 120.665 0.269 . . . . 0.0 111.228 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.518 ' HB3' HD12 ' A' ' 12' ' ' ILE . 78.4 mmm -84.54 -13.07 52.88 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -174.036 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.5 p -108.16 -34.52 6.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.506 0.193 . . . . 0.0 111.345 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -104.79 107.07 17.83 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.6 tttt . . . . . 0 N--CA 1.472 0.644 0 O-C-N 124.682 1.239 . . . . 0.0 111.392 -177.351 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.1 m . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 tt 67.45 -79.22 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.048 1.739 . . . . 0.0 111.109 -177.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 92.2 mtp -77.6 -55.88 4.99 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 122.776 0.43 . . . . 0.0 111.006 -175.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.5 tptt 57.72 73.67 0.46 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.863 1.352 . . . . 0.0 109.669 -171.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -70.42 133.43 46.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.5 -1.227 . . . . 0.0 109.212 177.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.8 p -81.81 92.37 6.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.128 0.966 . . . . 0.0 109.846 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.524 ' H ' ' HG3' ' A' ' 11' ' ' GLU . 17.3 t70 -65.5 -51.02 63.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.082 -1.417 . . . . 0.0 111.097 -177.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 t -157.37 -168.83 2.71 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -176.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.518 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 15.5 pt-20 -69.56 -21.68 63.61 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 123.418 0.449 . . . . 0.0 110.941 174.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -58.12 -42.02 84.89 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 124.399 1.08 . . . . 0.0 111.76 175.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.524 ' HG3' ' H ' ' A' ' 7' ' ' ASP . 7.1 mm-40 -65.93 -28.95 69.3 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.569 0.748 . . . . 0.0 112.022 177.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.601 HG21 ' HA ' ' A' ' 69' ' ' VAL . 17.1 mm -85.14 -22.56 7.51 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.607 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.876 -174.002 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 18.9 mtp180 -65.4 -39.61 92.41 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.902 0.481 . . . . 0.0 111.258 178.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -79.97 -25.22 40.45 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.068 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.413 ' O ' ' HD2' ' A' ' 19' ' ' PHE . . . -78.81 -30.03 45.14 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 122.165 -0.334 . . . . 0.0 111.043 176.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -65.94 -37.29 85.65 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.792 0.837 . . . . 0.0 111.718 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -76.89 -15.62 59.64 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 -175.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -84.67 -32.82 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 176.162 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.413 ' HD2' ' O ' ' A' ' 15' ' ' ALA . 37.3 m-85 -82.1 -27.64 32.73 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.513 -177.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -84.66 110.01 18.43 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 170.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.503 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 5.0 mmpt? -73.82 -24.07 59.75 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -176.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -113.16 -11.76 13.24 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -172.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.25 46.12 58.66 Favored Glycine 0 CA--C 1.533 1.212 0 CA-C-O 119.415 -0.658 . . . . 0.0 114.499 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 -102.9 -13.32 16.99 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 118.318 1.059 . . . . 0.0 112.011 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.63 19.55 26.99 Favored Glycine 0 C--O 1.223 -0.541 0 C-N-CA 121.157 -0.544 . . . . 0.0 112.378 -178.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.438 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 72.3 m-85 -144.7 130.1 18.81 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 123.653 0.781 . . . . 0.0 109.962 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.9 mt -102.34 104.22 16.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 175.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.2 p -85.31 177.28 7.88 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.875 0.369 . . . . 0.0 110.596 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 33' ' ' ARG . . . -72.54 -21.69 61.13 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.865 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.34 -33.9 48.84 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 120.592 0.234 . . . . 0.0 110.598 175.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -73.59 -48.55 31.94 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.126 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.527 HD23 HG13 ' A' ' 48' ' ' VAL . 33.4 tp -66.19 -31.44 72.28 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.796 0.685 . . . . 0.0 110.94 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.42 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 7.7 ttp180 -63.91 -44.47 92.85 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.607 0.567 . . . . 0.0 110.559 175.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -69.71 -36.59 76.03 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.244 -176.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.425 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 95.6 t -67.13 -43.99 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 123.428 0.455 . . . . 0.0 110.999 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.531 ' HG3' HD22 ' A' ' 43' ' ' LEU . 25.3 mmt -69.54 -34.07 73.69 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.43 HG23 ' HG2' ' A' ' 42' ' ' LYS . 61.8 m -71.62 -33.92 69.38 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.96 176.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -64.65 -35.91 82.56 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.488 0.715 . . . . 0.0 111.205 173.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 82.3 mt -74.91 -6.5 49.52 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.826 177.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.14 1.23 82.11 Favored Glycine 0 C--N 1.34 0.765 0 CA-C-N 116.587 -0.279 . . . . 0.0 112.982 175.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -83.92 -36.63 23.17 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.43 ' HG2' HG23 ' A' ' 37' ' ' THR . 1.2 tmtp? 61.38 84.87 0.13 Allowed 'General case' 0 C--N 1.343 0.303 0 O-C-N 125.389 1.681 . . . . 0.0 109.975 177.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.531 HD22 ' HG3' ' A' ' 36' ' ' MET . 1.2 tp -87.36 129.13 35.14 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 174.507 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.8 p -78.53 170.73 16.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 123.378 0.424 . . . . 0.0 110.688 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.95 -31.09 70.65 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -75.08 -44.99 44.31 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.168 0.587 . . . . 0.0 111.424 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.438 ' HB3' ' HG ' ' A' ' 43' ' ' LEU . 11.8 mm-40 -62.55 -37.29 85.57 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.496 0.719 . . . . 0.0 112.077 177.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.527 HG13 HD23 ' A' ' 32' ' ' LEU . 85.9 t -70.87 -39.51 75.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.51 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.821 177.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -62.12 -38.1 87.65 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 122.795 0.438 . . . . 0.0 111.962 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -67.93 -25.89 65.69 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.047 0.539 . . . . 0.0 112.28 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 96.8 mmm -82.29 -40.12 21.96 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 122.467 0.307 . . . . 0.0 111.189 174.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 24.5 mm -64.31 -43.83 97.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 O-C-N 124.068 0.855 . . . . 0.0 111.325 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.501 ' HG3' ' HG3' ' A' ' 54' ' ' GLU . 25.0 ptt180 -63.46 -31.64 72.86 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 123.423 0.452 . . . . 0.0 112.106 -178.196 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.501 ' HG3' ' HG3' ' A' ' 53' ' ' ARG . 44.3 mt-10 -94.06 -13.9 26.38 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.007 0.523 . . . . 0.0 111.931 -175.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.92 -29.3 16.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.691 0.281 . . . . 0.0 110.485 174.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.76 114.85 22.36 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.709 -178.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.3 mt -80.2 -48.37 20.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 114.489 -1.232 . . . . 0.0 110.497 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -82.06 -11.94 58.53 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -168.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.92 47.61 38.01 Favored Glycine 0 CA--C 1.532 1.14 0 N-CA-C 115.23 0.852 . . . . 0.0 115.23 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.8 p30 -104.82 -16.4 14.92 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 118.31 1.055 . . . . 0.0 110.943 172.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.07 -6.59 62.0 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 114.516 0.566 . . . . 0.0 114.516 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.438 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 36.1 mt-30 -129.26 131.45 47.01 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-O 121.919 0.866 . . . . 0.0 110.085 177.113 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 44.7 t -89.73 102.47 13.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 CA-C-N 114.528 -1.214 . . . . 0.0 110.745 -168.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -82.74 -175.33 5.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.664 177.086 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.415 ' O ' HG23 ' A' ' 69' ' ' VAL . 62.4 t80 -57.77 -55.63 32.37 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -166.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -59.75 -33.55 71.82 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.792 0.837 . . . . 0.0 112.604 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -71.44 -38.5 71.34 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 123.785 0.834 . . . . 0.0 111.615 -178.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -72.96 -36.38 67.12 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.533 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.601 ' HA ' HG21 ' A' ' 12' ' ' ILE . 92.3 t -63.93 -44.07 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 122.649 0.38 . . . . 0.0 111.119 178.119 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -64.16 -32.75 74.44 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -80.39 -31.55 37.72 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 120.719 0.295 . . . . 0.0 111.043 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 69.1 mmm -82.59 -24.88 33.71 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -176.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.2 p -91.81 -33.12 15.1 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.456 0.169 . . . . 0.0 111.456 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.21 -86.74 0.23 Allowed 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -178.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' A' ' 75' ' ' LYS . 42.7 mtmt . . . . . 0 C--N 1.313 -0.984 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.782 -173.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.47 0.572 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 38.5 tp -113.39 -36.43 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 175.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.6 mmt -90.11 -165.15 1.28 Allowed 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.893 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -73.46 -44.01 59.01 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 119.579 -0.248 . . . . 0.0 110.8 175.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 74.93 -23.19 0.24 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 125.637 1.575 . . . . 0.0 113.787 174.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.6 m -73.41 -40.78 64.0 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.759 0.424 . . . . 0.0 110.571 178.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -98.36 25.39 6.32 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.69 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.1 t -88.29 -177.15 5.6 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.427 -177.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.476 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 25.9 mt-10 -69.32 -16.29 63.51 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.042 0.937 . . . . 0.0 111.674 -177.053 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -65.96 -36.99 84.84 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.566 0.746 . . . . 0.0 112.119 175.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -69.17 -34.09 74.41 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.119 0.568 . . . . 0.0 110.325 175.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.618 HG21 ' HA ' ' A' ' 69' ' ' VAL . 14.2 mm -74.77 -22.66 17.38 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 CA-C-N 114.843 -1.071 . . . . 0.0 111.016 -176.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 81.4 mtp180 -63.77 -40.94 97.92 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.85 0.46 . . . . 0.0 111.318 173.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -81.47 -25.98 35.61 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.896 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.65 -24.01 60.99 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.848 0.356 . . . . 0.0 110.823 174.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -70.7 -25.16 62.83 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.59 175.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -78.22 -24.69 46.9 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.243 -177.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -79.25 -38.29 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-O 121.146 0.498 . . . . 0.0 109.768 177.516 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -83.96 -30.61 26.1 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.478 -174.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -86.88 109.94 19.65 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 174.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -77.52 -28.54 52.05 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -178.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -102.13 -11.92 18.46 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -175.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.97 42.61 84.92 Favored Glycine 0 CA--C 1.535 1.294 0 N-CA-C 114.925 0.73 . . . . 0.0 114.925 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -104.01 -13.77 16.19 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 118.438 1.119 . . . . 0.0 113.051 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.71 18.07 24.09 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.274 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -144.05 130.69 20.13 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 123.75 0.82 . . . . 0.0 109.945 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.9 mt -102.74 104.1 16.04 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 172.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.6 m -80.39 173.86 12.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.078 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.0 -37.06 81.01 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.627 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.47 -29.59 69.74 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -75.55 -49.91 17.22 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 122.648 0.379 . . . . 0.0 111.628 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.415 ' O ' ' HG2' ' A' ' 36' ' ' MET . 23.9 tp -64.41 -37.14 86.48 Favored 'General case' 0 C--O 1.221 -0.44 0 O-C-N 123.919 0.762 . . . . 0.0 110.646 -178.059 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.7 ttp85 -62.61 -44.25 96.78 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.876 0.735 . . . . 0.0 111.02 177.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -63.44 -41.82 98.67 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 124.596 1.185 . . . . 0.0 109.952 -177.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.33 -46.28 87.46 Favored 'Isoleucine or valine' 0 C--N 1.346 0.414 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.081 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.415 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 24.2 mmt -61.1 -39.53 90.33 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -178.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.575 ' HA ' ' HA ' ' A' ' 42' ' ' LYS . 29.1 m -70.24 -30.85 68.02 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 122.894 0.478 . . . . 0.0 111.486 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -77.42 -28.32 52.58 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.2 mt -73.87 -17.58 61.03 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.165 0.586 . . . . 0.0 111.407 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.81 -2.74 58.58 Favored Glycine 0 CA--C 1.505 -0.58 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.567 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -72.9 -36.1 67.22 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.575 ' HA ' ' HA ' ' A' ' 37' ' ' THR . 44.8 tttp 54.21 68.51 0.84 Allowed 'General case' 0 C--N 1.352 0.685 0 O-C-N 125.266 1.604 . . . . 0.0 110.634 174.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.471 HD23 HG22 ' A' ' 48' ' ' VAL . 10.7 tp -93.06 130.08 38.79 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 114.998 -1.001 . . . . 0.0 108.72 -175.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.89 163.21 23.55 Favored 'General case' 0 C--O 1.222 -0.371 0 O-C-N 123.492 0.495 . . . . 0.0 110.128 -173.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -50.75 -41.56 56.74 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.136 1.374 . . . . 0.0 114.406 -174.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 44.2 mt-10 -77.25 -29.24 53.92 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -79.47 -30.25 42.03 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.471 0.308 . . . . 0.0 111.296 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.471 HG22 HD23 ' A' ' 43' ' ' LEU . 66.3 t -75.27 -31.41 24.2 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.591 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 173.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -57.5 -40.14 78.02 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.271 0.628 . . . . 0.0 111.126 173.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 59.4 mt-10 -72.76 -38.47 67.34 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.362 176.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.7 mmm -69.24 -26.52 64.83 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.1 mm -69.43 -52.12 35.78 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.099 0 O-C-N 123.793 0.683 . . . . 0.0 110.772 173.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.86 -25.14 55.92 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -173.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.86 -8.78 59.49 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 121.143 0.496 . . . . 0.0 111.111 173.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.72 -15.05 14.85 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.302 0.641 . . . . 0.0 111.382 174.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -99.41 121.73 41.54 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.485 0.66 . . . . 0.0 110.021 -171.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.3 mt -79.49 -42.77 23.25 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.155 -175.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -92.49 -11.71 33.91 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -171.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.32 58.56 7.09 Favored Glycine 0 CA--C 1.535 1.339 0 N-CA-C 114.888 0.715 . . . . 0.0 114.888 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.4 p30 -114.74 -16.47 11.78 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 117.976 0.888 . . . . 0.0 112.625 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.08 -8.07 60.76 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 121.136 -0.554 . . . . 0.0 114.214 -176.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -130.44 131.95 45.47 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 122.224 1.012 . . . . 0.0 110.587 175.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 65.1 t -92.82 109.67 21.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 CA-C-N 114.055 -1.43 . . . . 0.0 108.785 -171.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.52 -174.54 2.09 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.92 -178.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -64.74 -44.52 89.87 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.877 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -61.67 -36.67 81.53 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 122.964 0.505 . . . . 0.0 112.266 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -78.85 -27.12 44.12 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 123.221 0.608 . . . . 0.0 111.592 -177.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -71.4 -44.0 65.75 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.038 175.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.618 ' HA ' HG21 ' A' ' 12' ' ' ILE . 86.2 t -64.84 -43.76 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 O-C-N 123.787 0.68 . . . . 0.0 111.383 -177.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -67.35 -27.26 66.98 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.5 -20.06 25.61 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 120.968 0.413 . . . . 0.0 111.783 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 42.2 mmm -91.84 -19.33 22.64 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.179 -0.326 . . . . 0.0 111.625 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.5 p -98.57 -31.97 11.68 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.696 176.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -123.07 125.49 45.29 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 171.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.3 mttt . . . . . 0 N--CA 1.479 1.017 0 O-C-N 124.535 1.147 . . . . 0.0 111.079 -179.406 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.5 p . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 121.487 0.66 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.415 HD13 ' HE2' ' A' ' 4' ' ' LYS . 91.3 mt -134.18 160.62 37.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.272 177.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -95.37 24.46 5.08 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.415 ' HE2' HD13 ' A' ' 2' ' ' LEU . 68.6 mttm -64.19 127.26 30.67 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.055 0.542 . . . . 0.0 111.617 177.487 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -88.41 -71.57 0.58 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 171.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 49.16 103.26 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.511 1.525 . . . . 0.0 113.505 -173.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -103.5 13.31 33.75 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.577 -178.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.8 p -83.48 174.97 10.15 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.095 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 15.7 pt-20 -69.6 -16.64 63.43 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.089 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -64.73 -38.16 90.04 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 123.394 0.678 . . . . 0.0 111.166 176.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -72.11 -30.92 65.55 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.522 176.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.625 HG21 ' HA ' ' A' ' 69' ' ' VAL . 24.6 mm -75.25 -23.93 17.31 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.048 -177.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 79.4 mtm180 -63.33 -41.56 98.91 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 122.503 0.321 . . . . 0.0 111.074 176.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -69.24 -41.74 76.56 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 123.804 0.69 . . . . 0.0 110.669 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.446 ' O ' ' HD1' ' A' ' 19' ' ' PHE . . . -64.4 -33.67 76.41 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 124.041 0.838 . . . . 0.0 111.696 178.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -63.52 -36.09 82.63 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.012 0.525 . . . . 0.0 111.45 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 55.8 mtm180 -77.96 -15.66 58.79 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -176.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -83.32 -37.82 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 173.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.446 ' HD1' ' O ' ' A' ' 15' ' ' ALA . 32.0 m-85 -77.86 -32.21 51.92 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.043 -0.98 . . . . 0.0 112.088 -174.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -89.27 107.25 18.95 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-O 121.405 0.622 . . . . 0.0 109.387 174.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 71.8 mmtt -78.39 -33.33 48.91 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -93.84 -11.85 30.27 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -171.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.14 30.98 60.12 Favored Glycine 0 CA--C 1.537 1.452 0 N-CA-C 115.25 0.86 . . . . 0.0 115.25 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -94.94 -15.58 23.49 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 118.776 1.288 . . . . 0.0 112.553 -178.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.34 16.37 40.62 Favored Glycine 0 CA--C 1.522 0.47 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.765 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.6 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 69.4 m-85 -142.78 130.3 21.26 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 123.41 0.684 . . . . 0.0 110.079 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.8 mt -95.68 113.12 29.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 176.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.7 p -91.49 176.72 6.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.29 177.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.0 -28.22 64.27 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 122.7 0.4 . . . . 0.0 111.916 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.54 -32.15 65.87 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.095 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -77.08 -41.55 41.77 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.629 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.517 HD23 HG13 ' A' ' 48' ' ' VAL . 38.2 tp -69.13 -34.53 75.18 Favored 'General case' 0 C--O 1.223 -0.341 0 O-C-N 124.051 0.844 . . . . 0.0 111.103 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -73.13 -37.87 66.48 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -62.23 -50.46 71.65 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.791 0.682 . . . . 0.0 110.82 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.478 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 9.4 p -73.73 -33.08 37.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 O-C-N 123.679 0.612 . . . . 0.0 112.048 -173.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.4 mmt -66.19 -39.54 89.75 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.368 0.531 . . . . 0.0 111.262 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.625 HG23 ' HG2' ' A' ' 42' ' ' LYS . 90.4 m -65.56 -35.92 82.26 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.061 176.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -71.19 -37.39 72.15 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 178.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 87.8 mt -69.81 -28.19 65.51 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.562 0.539 . . . . 0.0 111.818 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.18 3.3 17.53 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.344 178.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -80.52 -50.82 9.52 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 122.537 0.335 . . . . 0.0 110.172 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.625 ' HG2' HG23 ' A' ' 37' ' ' THR . 62.2 mttp 57.86 81.96 0.14 Allowed 'General case' 0 N--CA 1.471 0.588 0 O-C-N 125.224 1.578 . . . . 0.0 111.175 -176.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.434 ' HG ' ' HB2' ' A' ' 47' ' ' GLU . 8.4 tp -97.64 141.8 30.22 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.871 -1.059 . . . . 0.0 108.872 -175.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -77.84 170.42 16.63 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 110.467 -0.198 . . . . 0.0 110.467 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -67.39 -32.27 73.06 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 -177.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -69.54 -39.9 77.2 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.273 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 51' ' ' MET . 51.6 mt-10 -75.92 -35.87 59.6 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.981 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.517 HG13 HD23 ' A' ' 32' ' ' LEU . 45.3 t -66.52 -37.03 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 123.005 0.522 . . . . 0.0 110.481 176.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -57.64 -43.33 84.77 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 123.623 0.577 . . . . 0.0 111.34 173.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.96 -36.65 85.07 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.27 0.628 . . . . 0.0 112.273 178.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.436 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 88.9 mmm -77.95 -27.1 49.2 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-O 119.791 -0.147 . . . . 0.0 111.083 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.4 mm -72.52 -44.84 60.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.781 0 C-N-CA 122.955 0.502 . . . . 0.0 110.759 176.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -73.42 -21.93 60.35 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -83.16 -33.35 26.25 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 120.839 0.352 . . . . 0.0 110.162 176.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.47 -32.92 54.7 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.76 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -85.7 109.56 18.7 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 122.089 0.947 . . . . 0.0 110.955 -174.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.5 mt -79.65 -35.92 17.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 114.048 -1.433 . . . . 0.0 111.432 -175.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 p30 -93.38 -11.76 31.5 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -170.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.13 48.75 30.43 Favored Glycine 0 CA--C 1.535 1.316 0 N-CA-C 115.066 0.786 . . . . 0.0 115.066 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 p30 -107.39 -16.01 14.49 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 117.717 0.758 . . . . 0.0 110.837 172.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.9 -11.28 60.7 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-N 116.018 -0.537 . . . . 0.0 113.764 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.6 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 25.0 mt-30 -128.31 131.27 48.65 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.728 0.775 . . . . 0.0 110.793 -178.234 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.6 t -94.96 108.03 20.29 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.162 -166.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -82.1 -177.62 6.69 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.266 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.455 ' O ' HG23 ' A' ' 69' ' ' VAL . 55.4 t80 -50.23 -53.92 24.75 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -177.556 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -71.95 -27.79 63.02 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -174.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -70.63 -35.65 73.03 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.196 0.522 . . . . 0.0 110.612 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -73.39 -32.88 64.72 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.043 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.625 ' HA ' HG21 ' A' ' 12' ' ' ILE . 92.4 t -67.52 -38.65 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 122.338 0.255 . . . . 0.0 110.419 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -79.11 -20.2 49.26 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -75.14 -33.42 61.52 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 122.407 -0.183 . . . . 0.0 110.719 168.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.2 mmm -84.94 -50.4 7.53 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -173.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.6 t -106.97 -32.64 7.79 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 119.064 -0.493 . . . . 0.0 112.023 -176.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 62.3 25.4 15.18 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 124.838 1.336 . . . . 0.0 113.237 173.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.0 tttm . . . . . 0 C--O 1.237 0.427 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.671 -168.575 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.484 1.236 0 CA-C-O 121.258 0.551 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.0 mt -107.59 9.62 29.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.462 -176.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 92.2 mmm -84.78 -24.67 28.64 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.4 mttt 79.6 -37.83 0.18 Allowed 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 126.294 1.838 . . . . 0.0 113.067 173.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 63.1 33.85 14.2 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 125.105 1.362 . . . . 0.0 112.245 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m -114.19 26.17 10.5 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.06 93.51 0.09 Allowed 'General case' 0 C--N 1.354 0.795 0 C-N-CA 124.128 0.971 . . . . 0.0 112.459 -170.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.58 ' O ' HG12 ' A' ' 12' ' ' ILE . 17.9 m -169.3 -169.89 1.01 Allowed 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 126.743 2.017 . . . . 0.0 106.346 -178.004 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 2.4 mp0 -57.0 -32.4 66.08 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.961 0.905 . . . . 0.0 112.699 -176.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -71.84 -31.85 66.94 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -177.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -84.51 -23.17 29.93 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.045 0.45 . . . . 0.0 110.227 177.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.58 HG12 ' O ' ' A' ' 8' ' ' SER . 44.0 mm -67.04 -26.86 37.7 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.07 173.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 74.0 mtt180 -61.9 -35.98 79.95 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.625 0.77 . . . . 0.0 112.558 176.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.65 -42.33 78.11 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 123.111 0.257 . . . . 0.0 110.737 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.65 -32.53 73.9 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.77 0.669 . . . . 0.0 111.534 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -64.32 -37.32 87.08 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.556 0.742 . . . . 0.0 111.564 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 49.0 mtm-85 -67.25 -31.72 72.25 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -178.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -73.12 -36.17 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-O 121.017 0.437 . . . . 0.0 110.027 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -81.54 -27.48 34.39 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.054 -0.975 . . . . 0.0 112.092 -174.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -90.73 109.73 20.91 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.493 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 7.1 mmpt? -75.27 -33.56 61.26 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.464 -0.789 . . . . 0.0 113.019 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -100.64 -11.08 20.3 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -169.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.55 45.27 68.16 Favored Glycine 0 CA--C 1.532 1.152 0 N-CA-C 114.543 0.577 . . . . 0.0 114.543 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -106.32 -9.3 16.85 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.239 1.019 . . . . 0.0 112.799 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.07 20.76 37.96 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 121.294 -0.479 . . . . 0.0 112.166 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.548 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 96.8 m-85 -143.41 130.53 20.72 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 123.577 0.751 . . . . 0.0 109.568 -178.473 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.1 mt -100.77 103.01 14.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 173.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.4 m -81.54 169.39 17.16 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.82 177.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.26 -28.61 65.37 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.86 -28.07 62.3 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.709 0.29 . . . . 0.0 111.471 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -74.88 -50.83 15.62 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.338 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.529 HD23 HG13 ' A' ' 48' ' ' VAL . 38.5 tp -65.31 -33.2 75.42 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.819 0.699 . . . . 0.0 111.253 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.506 ' HA ' HG21 ' A' ' 48' ' ' VAL . 69.2 ttt180 -62.68 -45.03 94.69 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.23 0.612 . . . . 0.0 111.325 176.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -70.24 -42.4 72.28 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 119.106 -0.474 . . . . 0.0 111.426 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.8 t -63.46 -46.61 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 123.633 0.583 . . . . 0.0 111.434 -177.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.7 mmt -64.85 -43.1 94.11 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 58.5 m -67.71 -31.08 70.78 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.406 177.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -73.54 -32.49 64.23 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.035 0.534 . . . . 0.0 111.509 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.4 mt -79.03 -19.85 50.42 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.559 178.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.52 8.66 40.05 Favored Glycine 0 C--N 1.333 0.414 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.748 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -87.51 -24.18 24.17 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 122.378 0.271 . . . . 0.0 110.663 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.497 ' HE3' ' HB2' ' A' ' 42' ' ' LYS . 26.4 mtmt 62.32 41.11 10.6 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 124.64 1.212 . . . . 0.0 112.771 166.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.449 ' HG ' ' CB ' ' A' ' 47' ' ' GLU . 2.6 tp -68.59 117.48 10.38 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.4 p -78.7 177.53 8.57 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.749 -175.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -61.53 -34.74 76.06 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 43.1 mm-40 -66.83 -45.43 78.27 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 123.35 0.406 . . . . 0.0 111.414 175.063 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.449 ' CB ' ' HG ' ' A' ' 43' ' ' LEU . 59.0 mm-40 -69.32 -40.02 77.86 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.783 0.677 . . . . 0.0 111.885 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.529 HG13 HD23 ' A' ' 32' ' ' LEU . 84.9 t -70.31 -39.41 76.62 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.181 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.801 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -63.04 -41.08 99.42 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.374 0.421 . . . . 0.0 111.2 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 61.4 mm-40 -62.37 -40.82 97.68 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.756 0.66 . . . . 0.0 111.69 176.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 91.0 mmm -72.05 -37.77 69.61 Favored 'General case' 0 C--O 1.225 -0.235 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.4 mm -69.92 -42.91 79.86 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.886 0 O-C-N 123.545 0.528 . . . . 0.0 110.724 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.6 ptt85 -73.32 -21.25 60.61 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -86.55 -28.3 23.43 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 120.729 0.299 . . . . 0.0 110.578 176.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.0 -29.32 27.07 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -82.49 107.84 15.45 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.089 -176.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.2 mt -77.92 -35.13 20.29 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 CA-C-N 113.999 -1.455 . . . . 0.0 110.961 -176.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -91.5 -11.83 36.33 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -174.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.44 56.52 9.85 Favored Glycine 0 CA--C 1.539 1.563 0 N-CA-C 115.138 0.815 . . . . 0.0 115.138 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.7 p30 -115.23 -16.1 11.56 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 117.672 0.736 . . . . 0.0 112.126 174.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.82 -10.1 60.44 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 121.11 -0.567 . . . . 0.0 114.165 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.548 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 53.2 mt-30 -128.26 131.05 48.76 Favored 'General case' 0 C--O 1.245 0.817 0 CA-C-O 122.075 0.94 . . . . 0.0 110.326 176.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.0 t -92.28 110.69 23.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 CA-C-N 114.055 -1.43 . . . . 0.0 109.033 -168.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.39 -174.82 1.75 Allowed 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.119 0.485 . . . . 0.0 109.783 -177.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -61.46 -49.31 77.3 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.162 174.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 7.5 pt-20 -58.95 -42.12 89.07 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 124.15 0.906 . . . . 0.0 112.615 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -72.04 -34.13 68.54 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 123.23 0.612 . . . . 0.0 112.099 -176.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -71.61 -40.31 69.89 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.495 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.559 ' HA ' HG21 ' A' ' 12' ' ' ILE . 94.9 t -67.67 -40.6 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 O-C-N 123.386 0.429 . . . . 0.0 111.21 -178.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 17.4 mm100 -68.31 -31.4 70.8 Favored 'General case' 0 C--O 1.225 -0.223 0 O-C-N 123.087 0.242 . . . . 0.0 111.332 -178.021 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -83.18 -23.98 32.66 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.524 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 64.4 mmm -85.17 -27.94 25.81 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.14 -0.35 . . . . 0.0 111.739 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.6 p -87.65 -38.27 16.04 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.525 0.195 . . . . 0.0 111.525 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.08 -12.32 33.38 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt . . . . . 0 N--CA 1.473 0.719 0 O-C-N 124.369 1.043 . . . . 0.0 112.059 173.731 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.4 p . . . . . 0 N--CA 1.473 0.71 0 CA-C-O 121.048 0.451 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.49 HD13 ' HG3' ' A' ' 75' ' ' LYS . 9.2 mp -103.32 135.85 44.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.318 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 57.5 mtt -94.13 -41.2 9.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.369 0.604 . . . . 0.0 109.446 176.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -113.9 138.22 50.62 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.019 -0.992 . . . . 0.0 110.358 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -74.63 136.74 41.97 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.443 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.3 p -97.75 133.23 42.55 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.66 178.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -70.43 -68.84 0.4 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.939 -174.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.447 ' O ' HG12 ' A' ' 12' ' ' ILE . 4.1 t -155.03 -156.16 0.64 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -178.061 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.402 ' HG2' ' H ' ' A' ' 9' ' ' GLU . 1.4 mm-40 -69.26 -26.78 64.94 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.279 0.632 . . . . 0.0 111.934 -170.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -68.64 -34.76 76.29 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.311 0.645 . . . . 0.0 112.077 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -70.46 -31.95 69.3 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.235 176.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.571 HG21 ' HA ' ' A' ' 69' ' ' VAL . 25.2 mm -78.33 -26.35 14.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.526 -178.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.552 ' O ' ' HD3' ' A' ' 17' ' ' ARG . 71.6 mtt180 -63.41 -48.45 77.78 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 178.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -75.22 -25.22 57.96 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 117.48 0.127 . . . . 0.0 110.897 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.9 -30.59 66.98 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.643 0.259 . . . . 0.0 111.327 174.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -68.67 -29.98 68.56 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.185 0.594 . . . . 0.0 110.558 174.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.552 ' HD3' ' O ' ' A' ' 13' ' ' ARG . 9.3 mpt_? -75.72 -18.14 59.68 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.257 0.623 . . . . 0.0 112.109 -176.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 t -78.55 -42.89 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 174.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.568 ' HA ' HG21 ' A' ' 35' ' ' VAL . 43.5 m-85 -80.32 -33.05 37.8 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 114.763 -1.108 . . . . 0.0 112.478 -170.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -90.57 100.61 13.43 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.452 0.644 . . . . 0.0 109.975 177.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.457 ' HE2' HG22 ' A' ' 35' ' ' VAL . 72.6 mmtt -77.69 -33.42 53.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.701 -1.136 . . . . 0.0 113.567 -175.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.4 p30 -87.3 -11.51 49.3 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -173.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.27 43.33 98.65 Favored Glycine 0 CA--C 1.536 1.402 0 N-CA-C 114.71 0.644 . . . . 0.0 114.71 -177.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -104.92 -18.08 14.32 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 117.753 0.776 . . . . 0.0 111.314 177.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.28 6.77 58.65 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 121.299 -0.477 . . . . 0.0 113.907 179.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.558 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 36.1 m-85 -135.17 129.04 33.17 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 117.339 0.569 . . . . 0.0 110.025 176.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.3 mt -97.73 114.25 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 120.954 0.406 . . . . 0.0 110.284 -174.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.0 p -91.51 178.43 5.95 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.858 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.68 -21.59 63.5 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.635 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.54 -42.82 74.1 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 122.716 0.406 . . . . 0.0 111.66 176.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 35' ' ' VAL . 40.9 mt-10 -75.24 -43.55 50.92 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.117 -175.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.7 tp -66.52 -34.82 78.76 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 123.652 0.595 . . . . 0.0 111.374 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -68.86 -39.45 79.89 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.572 177.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -65.12 -39.65 93.37 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 123.51 0.506 . . . . 0.0 111.283 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.568 HG21 ' HA ' ' A' ' 19' ' ' PHE . 88.0 t -64.41 -49.6 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 O-C-N 123.666 0.604 . . . . 0.0 110.923 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.3 mmt -63.47 -37.16 86.22 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -177.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.592 ' HA ' ' HA ' ' A' ' 42' ' ' LYS . 37.8 m -73.76 -32.32 63.75 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.293 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -70.94 -28.63 64.63 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 122.864 0.466 . . . . 0.0 111.228 176.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 90.2 mt -75.81 -7.16 53.78 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.296 179.199 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.35 -6.47 68.42 Favored Glycine 0 C--N 1.341 0.824 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -86.37 -25.13 25.5 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 122.65 0.38 . . . . 0.0 111.595 -173.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.592 ' HA ' ' HA ' ' A' ' 37' ' ' THR . 23.8 pttm 40.59 80.88 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 126.304 1.842 . . . . 0.0 114.006 -178.3 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 tp -82.32 135.83 35.13 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.7 160.62 32.32 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 123.749 0.656 . . . . 0.0 109.805 -177.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -63.55 -35.55 80.86 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.988 0.515 . . . . 0.0 111.858 -176.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 34.9 tt0 -62.26 -49.75 74.45 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.311 0.644 . . . . 0.0 111.303 173.335 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 51' ' ' MET . 49.0 mt-10 -60.41 -39.02 85.88 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 124.019 0.824 . . . . 0.0 112.38 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.0 t -69.21 -34.66 64.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 123.339 0.656 . . . . 0.0 111.296 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -67.36 -31.62 71.99 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.156 0.503 . . . . 0.0 111.128 176.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 37.2 mt-10 -74.8 -22.84 58.51 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.222 176.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.47 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 24.8 mmt -82.3 -37.43 25.82 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.452 174.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.8 mm -64.68 -44.3 96.6 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 O-C-N 123.627 0.58 . . . . 0.0 110.846 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -68.96 -21.69 64.16 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -178.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -88.17 -40.15 13.95 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.493 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.57 -22.06 30.2 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -174.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -86.17 126.92 34.59 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.147 0.499 . . . . 0.0 109.751 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.505 HG12 ' HG2' ' A' ' 67' ' ' GLU . 7.6 mm -78.95 -41.63 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.426 -172.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -99.22 -12.19 20.64 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -169.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.55 53.81 11.78 Favored Glycine 0 CA--C 1.539 1.533 0 N-CA-C 114.425 0.53 . . . . 0.0 114.425 -177.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.9 p30 -108.44 -15.08 14.53 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 117.29 0.545 . . . . 0.0 111.892 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.88 -15.83 43.98 Favored Glycine 0 CA--C 1.524 0.637 0 CA-C-O 119.929 -0.373 . . . . 0.0 113.626 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.558 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 26.8 mt-30 -132.97 137.42 46.55 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 123.362 1.553 . . . . 0.0 112.469 179.026 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.1 t -100.42 105.49 17.74 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 CA-C-N 112.552 -2.113 . . . . 0.0 109.583 -170.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.421 ' OD1' ' HG2' ' A' ' 66' ' ' GLU . 6.8 p30 -85.14 -174.29 5.17 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.85 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -50.23 -53.18 29.97 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -176.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.421 ' HG2' ' OD1' ' A' ' 64' ' ' ASN . 10.5 pt-20 -69.78 -32.18 70.52 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.056 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.505 ' HG2' HG12 ' A' ' 57' ' ' ILE . 47.0 mt-10 -69.47 -35.63 75.79 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.31 0.644 . . . . 0.0 111.622 177.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -72.5 -42.46 64.84 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.374 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.571 ' HA ' HG21 ' A' ' 12' ' ' ILE . 70.0 t -61.14 -43.46 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-O 119.003 -0.523 . . . . 0.0 111.239 178.467 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -57.4 -43.64 83.88 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.655 0.597 . . . . 0.0 112.382 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -69.62 -37.05 76.67 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 123.328 0.393 . . . . 0.0 111.776 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.43 ' HB3' HD12 ' A' ' 12' ' ' ILE . 82.3 mmm -78.37 -36.42 46.06 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -174.052 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 51.4 p -84.92 -24.74 28.29 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 111.507 0.188 . . . . 0.0 111.507 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.0 -5.75 58.98 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 119.563 -0.256 . . . . 0.0 111.408 173.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.49 ' HG3' HD13 ' A' ' 2' ' ' LEU . 87.4 tttt . . . . . 0 C--N 1.353 0.722 0 O-C-N 124.717 1.26 . . . . 0.0 111.305 175.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 N--CA 1.47 0.554 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 55.1 tp -64.78 114.22 4.32 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 123.856 0.723 . . . . 0.0 109.677 174.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 98.3 mmm -85.48 177.67 7.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.161 175.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -60.22 -78.38 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 O-C-N 123.601 0.563 . . . . 0.0 111.51 -176.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.6 t70 168.36 -65.33 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 106.271 -1.752 . . . . 0.0 106.271 173.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.6 t -121.79 -159.28 0.81 Allowed 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 171.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.6 t70 69.56 31.27 3.74 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 123.039 1.399 . . . . 0.0 110.09 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.2 p -109.86 -167.61 1.22 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.079 -0.964 . . . . 0.0 108.83 174.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.505 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 13.1 pt-20 -67.63 -20.91 65.39 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -174.208 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 43.8 mt-10 -78.91 -25.07 43.75 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.604 0.362 . . . . 0.0 111.766 -178.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -73.55 -32.22 64.06 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 170.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.571 HG21 ' HA ' ' A' ' 69' ' ' VAL . 23.0 mm -73.76 -25.92 21.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.669 178.273 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 69.1 mtt180 -66.12 -36.55 83.45 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.641 0.376 . . . . 0.0 110.685 174.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -77.38 -39.13 48.31 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.073 177.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.403 ' O ' ' HD1' ' A' ' 19' ' ' PHE . . . -65.1 -31.54 72.8 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.649 0.593 . . . . 0.0 111.336 178.005 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -65.14 -35.89 82.52 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 123.357 0.663 . . . . 0.0 111.238 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 39.0 mtm180 -76.19 -15.05 60.13 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -179.034 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -84.51 -42.36 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 172.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.599 ' HA ' HG21 ' A' ' 35' ' ' VAL . 35.8 m-85 -75.05 -34.85 61.9 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.888 -175.379 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -84.68 109.86 18.33 Favored 'General case' 0 C--O 1.228 -0.073 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 169.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.554 ' HE3' ' HA ' ' A' ' 31' ' ' GLU . 6.4 mtmp? -77.17 -26.63 53.15 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -176.071 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -104.68 -12.05 16.57 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -173.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.65 40.1 77.36 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-O 119.341 -0.699 . . . . 0.0 114.804 177.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -99.68 -14.13 19.04 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 118.424 1.112 . . . . 0.0 112.625 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.09 13.3 29.4 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.693 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -143.78 130.56 20.31 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 123.371 0.668 . . . . 0.0 110.58 -175.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.417 ' HB ' ' HB ' ' A' ' 63' ' ' VAL . 60.3 mt -103.14 106.2 19.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 175.247 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.0 m -83.19 177.25 8.64 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.245 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.34 -52.88 60.17 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 123.53 0.519 . . . . 0.0 111.837 175.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.17 -23.92 67.65 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -177.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.554 ' HA ' ' HE3' ' A' ' 21' ' ' LYS . 49.1 mt-10 -77.34 -51.63 10.52 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 122.289 0.236 . . . . 0.0 111.595 -179.115 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.4 tp -65.9 -33.68 76.39 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 123.713 0.633 . . . . 0.0 110.932 177.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.92 -51.45 63.72 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.878 1.271 . . . . 0.0 111.798 173.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -68.58 -37.02 79.5 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 123.754 0.659 . . . . 0.0 111.327 -175.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.599 HG21 ' HA ' ' A' ' 19' ' ' PHE . 58.8 t -67.25 -41.03 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 O-C-N 123.276 0.36 . . . . 0.0 111.231 -178.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.52 ' HG3' HD22 ' A' ' 43' ' ' LEU . 24.8 mmt -73.49 -25.32 60.4 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.014 0.435 . . . . 0.0 111.742 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 42' ' ' LYS . 67.2 m -74.51 -32.8 62.62 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.83 173.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -66.48 -34.34 77.71 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.313 0.645 . . . . 0.0 111.816 174.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -79.77 2.68 22.03 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.334 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.68 -15.54 58.39 Favored Glycine 0 C--N 1.339 0.708 0 CA-C-N 116.508 -0.314 . . . . 0.0 113.549 170.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -75.5 -33.77 60.78 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -172.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 37' ' ' THR . 43.7 mttp 59.12 77.17 0.32 Allowed 'General case' 0 N--CA 1.48 1.051 0 O-C-N 124.898 1.373 . . . . 0.0 110.88 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.52 HD22 ' HG3' ' A' ' 36' ' ' MET . 3.7 tp -79.22 122.13 25.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.525 -171.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.401 ' O ' HG23 ' A' ' 48' ' ' VAL . 57.1 p -79.91 175.98 10.14 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.182 -177.222 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -62.4 -38.82 91.14 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.908 0.483 . . . . 0.0 111.727 -173.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -67.18 -40.79 86.64 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.861 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -70.51 -42.89 70.69 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.376 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.428 HG22 HD23 ' A' ' 43' ' ' LEU . 97.7 t -65.41 -42.3 93.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 123.298 0.639 . . . . 0.0 111.657 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.17 -36.97 78.77 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 123.812 0.695 . . . . 0.0 111.534 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -75.51 -33.49 60.76 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.176 177.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.456 ' HG3' HD21 ' A' ' 43' ' ' LEU . 25.5 mmt -74.45 -29.73 61.59 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 122.46 0.304 . . . . 0.0 111.483 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.1 mm -65.74 -49.73 75.59 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.088 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.388 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.9 ptp85 -71.55 -21.69 61.86 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -76.25 -35.43 58.97 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.772 0.32 . . . . 0.0 110.608 176.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.71 -22.08 23.54 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -92.29 139.52 30.52 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 122.921 0.488 . . . . 0.0 110.147 -175.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.3 mt -79.91 -55.82 8.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.03 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -86.34 -12.04 50.45 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -167.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.04 50.46 22.9 Favored Glycine 0 CA--C 1.532 1.112 0 N-CA-C 114.559 0.584 . . . . 0.0 114.559 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.9 p30 -105.8 -16.07 14.77 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 117.689 0.745 . . . . 0.0 112.433 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.81 -13.16 50.04 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 120.997 -0.62 . . . . 0.0 113.925 -176.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -125.99 131.73 52.17 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 122.25 1.024 . . . . 0.0 110.845 176.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.417 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 22.6 t -102.84 106.86 20.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 CA-C-N 113.506 -1.679 . . . . 0.0 107.692 -170.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -77.11 -174.21 3.09 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 -176.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.46 ' O ' HG23 ' A' ' 69' ' ' VAL . 52.2 t80 -59.34 -53.58 56.57 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.731 177.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -61.08 -34.78 75.47 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.442 1.097 . . . . 0.0 112.174 -177.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -75.92 -33.53 59.87 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.237 -177.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -71.72 -44.39 64.22 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.702 176.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.571 ' HA ' HG21 ' A' ' 12' ' ' ILE . 58.1 t -62.21 -41.41 91.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 O-C-N 123.581 0.551 . . . . 0.0 111.289 -177.145 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -64.83 -39.52 93.7 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-O 118.835 -0.602 . . . . 0.0 112.235 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -69.07 -38.0 78.79 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.397 0.436 . . . . 0.0 111.067 177.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 77.5 mmm -71.23 -23.04 61.93 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.099 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.7 p -105.18 -7.83 18.77 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.39 -33.55 23.74 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 120.935 0.398 . . . . 0.0 110.529 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.2 tttt . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.445 178.455 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.651 0.262 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.5 mp -89.66 71.07 7.83 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.906 0.86 . . . . 0.0 111.474 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 93.0 mtp -125.53 4.46 7.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.748 -1.115 . . . . 0.0 109.416 175.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -123.23 92.94 3.8 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.876 -173.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -124.42 -59.48 1.46 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.591 176.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 53.2 p 51.19 75.6 0.19 Allowed 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 125.933 1.693 . . . . 0.0 113.198 175.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -134.06 -50.6 0.82 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.847 -1.069 . . . . 0.0 111.657 -172.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.498 ' O ' HG12 ' A' ' 12' ' ' ILE . 79.5 p -79.78 165.47 22.74 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.164 -176.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.79 -22.88 61.51 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.693 -175.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -77.34 -25.21 50.89 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.4 177.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -76.79 -25.15 53.02 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.773 171.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.544 HG21 ' HA ' ' A' ' 69' ' ' VAL . 34.1 mm -77.99 -22.21 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.339 176.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.463 ' HG2' ' CE1' ' A' ' 65' ' ' TYR . 99.8 mtt180 -62.8 -36.97 84.9 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.172 0.589 . . . . 0.0 112.06 175.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -71.37 -38.46 71.54 Favored 'General case' 0 C--O 1.223 -0.328 0 O-C-N 123.62 0.575 . . . . 0.0 109.728 178.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.62 -30.78 67.52 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.669 178.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -66.51 -39.07 88.48 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.666 0.786 . . . . 0.0 111.871 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -15.75 60.48 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -177.033 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.6 t -79.52 -44.22 23.56 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 173.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.517 ' HA ' HG21 ' A' ' 35' ' ' VAL . 28.7 m-85 -73.73 -26.34 60.63 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.839 -1.073 . . . . 0.0 112.031 -174.234 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -86.63 110.25 19.72 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 168.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -18.54 61.94 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.517 1.302 . . . . 0.0 114.517 -175.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.15 -10.68 11.46 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -176.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.0 43.69 90.56 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-O 119.551 -0.583 . . . . 0.0 114.2 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -102.05 -17.57 16.0 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.36 1.08 . . . . 0.0 112.25 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.69 2.45 37.21 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 120.947 -0.645 . . . . 0.0 113.448 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.5 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 67.9 m-85 -133.74 130.0 37.47 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 176.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.442 ' HB ' ' HB ' ' A' ' 63' ' ' VAL . 55.6 mt -104.66 114.19 43.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.0 m -95.31 177.66 5.77 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.453 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.59 -31.21 68.11 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 122.817 0.447 . . . . 0.0 111.827 -178.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.85 -33.32 74.54 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 122.769 0.428 . . . . 0.0 111.294 175.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 35' ' ' VAL . 50.3 mt-10 -74.23 -46.15 43.54 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.043 178.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.516 HD23 HG13 ' A' ' 48' ' ' VAL . 60.5 tp -66.18 -36.06 82.11 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.833 0.708 . . . . 0.0 111.593 -178.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -68.13 -35.27 77.84 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.297 0.373 . . . . 0.0 110.436 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -70.62 -37.35 73.81 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-O 119.297 -0.382 . . . . 0.0 110.571 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.517 HG21 ' HA ' ' A' ' 19' ' ' PHE . 90.5 t -63.97 -40.26 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.225 0.61 . . . . 0.0 110.843 175.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.4 mmt -60.36 -44.03 95.96 Favored 'General case' 0 C--O 1.222 -0.352 0 O-C-N 123.59 0.556 . . . . 0.0 111.058 175.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.2 m -70.11 -27.22 64.41 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.015 0.526 . . . . 0.0 111.809 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -68.35 -34.14 75.55 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.811 0.444 . . . . 0.0 111.153 174.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -85.76 1.93 47.61 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.491 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.38 19.32 55.27 Favored Glycine 0 C--N 1.339 0.716 0 C-N-CA 121.357 -0.449 . . . . 0.0 113.414 176.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -114.47 159.67 20.08 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -130.55 82.77 2.07 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.171 0.51 . . . . 0.0 110.532 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -78.03 130.77 36.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.29 174.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.0 p -78.11 172.93 12.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.529 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.03 -29.35 70.51 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -66.5 -45.56 79.19 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.768 0.667 . . . . 0.0 111.586 174.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -71.56 -40.91 69.67 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.734 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.516 HG13 HD23 ' A' ' 32' ' ' LEU . 95.1 t -68.89 -37.72 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 O-C-N 123.836 0.71 . . . . 0.0 110.936 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -60.69 -39.65 89.26 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 122.961 0.504 . . . . 0.0 112.114 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.548 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 53.4 mt-10 -74.71 -26.94 60.15 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.365 0.416 . . . . 0.0 111.781 -179.349 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.3 mmt -72.79 -39.82 66.39 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.31 0.381 . . . . 0.0 110.539 173.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.2 mm -65.95 -46.98 86.87 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.895 0 O-C-N 123.961 0.788 . . . . 0.0 110.932 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.548 ' HG2' ' HA ' ' A' ' 50' ' ' GLU . 28.4 ptt180 -71.14 -21.89 62.13 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -175.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -87.05 -30.27 21.29 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.933 0.397 . . . . 0.0 110.354 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.19 -21.32 31.31 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.676 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.33 114.79 26.93 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.685 0.755 . . . . 0.0 110.638 -177.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.3 mt -79.69 -41.48 21.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 114.284 -1.326 . . . . 0.0 110.87 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -91.69 -11.17 37.67 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.358 0.874 . . . . 0.0 113.358 -171.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.38 49.87 29.7 Favored Glycine 0 CA--C 1.534 1.279 0 N-CA-C 114.951 0.74 . . . . 0.0 114.951 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.2 p30 -108.55 -15.83 14.34 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-N 117.914 0.857 . . . . 0.0 111.968 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.18 -12.99 63.6 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 121.046 -0.597 . . . . 0.0 113.93 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.5 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 33.0 mt-30 -119.46 131.07 55.54 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 117.904 0.852 . . . . 0.0 109.691 177.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.442 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 53.5 t -96.33 109.23 22.49 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 CA-C-N 114.164 -1.38 . . . . 0.0 107.81 -171.292 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.73 -174.85 2.71 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.409 -177.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.463 ' CE1' ' HG2' ' A' ' 13' ' ' ARG . 43.8 t80 -62.08 -51.53 67.56 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.925 176.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 1.4 pm0 -61.81 -36.91 82.52 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.025 0.93 . . . . 0.0 112.749 -179.162 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -70.6 -37.36 73.86 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 123.734 0.647 . . . . 0.0 111.765 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -69.26 -38.4 78.38 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.622 176.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.544 ' HA ' HG21 ' A' ' 12' ' ' ILE . 46.9 t -64.26 -38.95 83.84 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.55 0 O-C-N 123.835 0.709 . . . . 0.0 111.179 -177.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 81.1 mm-40 -69.51 -31.23 69.34 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -178.161 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -80.61 -20.06 44.05 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.776 177.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.488 ' HB3' HD12 ' A' ' 12' ' ' ILE . 92.8 mmm -92.33 -33.96 14.4 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -178.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.9 p -84.36 -35.44 23.19 Favored 'General case' 0 N--CA 1.463 0.199 0 O-C-N 123.065 0.228 . . . . 0.0 111.33 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -101.66 156.58 17.4 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 173.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt . . . . . 0 CA--C 1.536 0.42 0 CA-C-O 121.392 0.615 . . . . 0.0 111.827 -175.453 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.471 0.602 0 CA-C-O 121.125 0.488 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 53.4 tp -149.49 90.49 1.73 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.459 178.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.9 ttt -124.8 34.46 4.99 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.001 -0.999 . . . . 0.0 108.556 178.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.6 mttp 59.95 55.0 3.98 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.6 1.16 . . . . 0.0 109.958 -172.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -74.92 128.8 36.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 114.658 -1.156 . . . . 0.0 111.821 -170.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.433 ' HB ' ' OE1' ' A' ' 11' ' ' GLU . 28.9 p -99.24 -179.05 4.11 Favored 'General case' 0 C--O 1.245 0.839 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.098 177.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.9 t70 72.71 2.45 4.36 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 125.122 1.369 . . . . 0.0 111.575 -178.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.487 ' O ' HG12 ' A' ' 12' ' ' ILE . 56.1 p -88.62 -172.79 3.88 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.519 -0.738 . . . . 0.0 110.482 176.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 14.7 mp0 -70.42 -20.42 62.92 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 123.521 0.728 . . . . 0.0 111.619 -173.108 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -64.19 -39.34 93.79 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.54 0.736 . . . . 0.0 111.176 175.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.433 ' OE1' ' HB ' ' A' ' 6' ' ' THR . 38.2 tt0 -75.11 -33.45 61.59 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.333 178.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.574 HG21 ' HA ' ' A' ' 69' ' ' VAL . 12.2 mm -74.96 -22.64 17.11 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.66 -177.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 43.4 mtp-105 -57.77 -56.18 25.31 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 122.705 0.402 . . . . 0.0 111.03 172.345 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -68.37 -30.91 69.96 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.305 1.003 . . . . 0.0 112.462 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.66 -44.8 77.02 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 117.914 0.325 . . . . 0.0 111.053 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -63.29 -31.98 73.27 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.632 0.773 . . . . 0.0 110.91 174.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -73.86 -24.96 59.82 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.178 -1.374 . . . . 0.0 112.282 -174.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 t -70.72 -46.97 66.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 172.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.534 ' HA ' HG21 ' A' ' 35' ' ' VAL . 57.9 m-85 -73.18 -36.46 66.58 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.202 -1.363 . . . . 0.0 112.073 -169.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -82.61 108.4 15.97 Favored 'General case' 0 C--N 1.341 0.229 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 173.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -78.4 -34.26 48.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.029 -0.987 . . . . 0.0 112.885 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -97.33 -11.5 23.97 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -170.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.5 46.58 62.0 Favored Glycine 0 CA--C 1.531 1.09 0 CA-C-O 119.579 -0.567 . . . . 0.0 114.454 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -106.03 -4.8 20.07 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.201 1.001 . . . . 0.0 112.186 178.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 64' ' ' ASN . . . 87.28 23.21 41.36 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 121.46 -0.4 . . . . 0.0 112.728 -178.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.585 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 38.6 m-85 -147.44 130.55 16.39 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.706 0.803 . . . . 0.0 110.776 -178.2 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.9 mt -98.83 104.81 16.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 169.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.4 p -84.03 176.16 9.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.65 0.262 . . . . 0.0 110.462 177.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.41 -26.5 68.01 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.178 -0.464 . . . . 0.0 112.113 174.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.79 -39.73 69.69 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.563 0.22 . . . . 0.0 111.419 176.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -73.11 -44.76 59.87 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.549 -178.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.446 HD23 HG13 ' A' ' 48' ' ' VAL . 33.7 tp -67.96 -34.98 77.6 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 123.855 0.722 . . . . 0.0 111.15 -178.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -65.41 -39.62 92.4 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.156 0.285 . . . . 0.0 110.953 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -63.38 -48.04 79.53 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.279 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.534 HG21 ' HA ' ' A' ' 19' ' ' PHE . 60.6 t -65.89 -42.24 91.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 O-C-N 123.715 0.635 . . . . 0.0 111.248 -176.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.4 mmt -57.31 -48.15 79.67 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.928 0.491 . . . . 0.0 112.218 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.481 HG23 ' HG2' ' A' ' 42' ' ' LYS . 23.3 m -71.71 -30.85 66.1 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.589 -177.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.09 -29.22 61.75 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.028 0.531 . . . . 0.0 112.145 178.445 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 87.4 mt -87.02 -2.12 58.39 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.89 -0.27 62.55 Favored Glycine 0 C--N 1.338 0.687 0 C-N-CA 121.296 -0.478 . . . . 0.0 113.603 174.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -80.67 -44.31 19.0 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.519 0.327 . . . . 0.0 110.731 -177.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.481 ' HG2' HG23 ' A' ' 37' ' ' THR . 35.7 mtmm 61.67 85.96 0.11 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.154 1.382 . . . . 0.0 112.524 178.431 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.2 mp -101.38 135.89 42.11 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.985 175.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 79.7 p -82.15 178.12 8.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.542 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -59.08 -39.63 82.77 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.247 0.619 . . . . 0.0 112.522 -173.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -77.71 -32.36 52.86 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.777 -177.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -77.52 -32.0 53.77 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 122.564 0.346 . . . . 0.0 111.294 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.446 HG13 HD23 ' A' ' 32' ' ' LEU . 53.1 t -66.97 -37.66 79.82 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.041 173.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.5 -30.22 69.85 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 123.343 0.402 . . . . 0.0 111.45 177.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -64.44 -34.1 77.4 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.928 0.491 . . . . 0.0 111.962 174.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 94.4 mmm -82.62 -31.29 28.9 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.813 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 18.7 mm -65.86 -47.48 85.44 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 O-C-N 123.602 0.563 . . . . 0.0 110.426 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -69.74 -22.86 63.34 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -177.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -82.84 -26.69 31.44 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 121.14 0.495 . . . . 0.0 110.613 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -95.99 -26.54 15.51 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -88.93 121.83 31.69 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.647 0.737 . . . . 0.0 111.087 -174.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 78.6 mt -80.16 -46.52 21.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 114.146 -1.388 . . . . 0.0 111.151 -176.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -88.48 -12.3 43.39 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -169.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.18 49.44 26.86 Favored Glycine 0 CA--C 1.538 1.478 0 N-CA-C 114.989 0.755 . . . . 0.0 114.989 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.3 p30 -106.22 -16.59 14.55 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 118.239 1.019 . . . . 0.0 112.504 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.85 -12.5 49.78 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 121.05 -0.595 . . . . 0.0 113.81 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.585 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 29.8 mt-30 -130.91 131.55 44.55 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 121.959 0.885 . . . . 0.0 111.196 177.017 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.0 t -90.56 112.44 24.96 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 CA-C-N 114.012 -1.449 . . . . 0.0 110.127 -171.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 25' ' ' GLY . 48.2 m-80 -65.01 178.55 0.81 Allowed 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.56 0.695 . . . . 0.0 112.212 175.464 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -64.51 -45.85 85.5 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.94 168.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -56.89 -39.98 75.4 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.426 0.691 . . . . 0.0 112.32 175.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -74.68 -34.55 62.7 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.929 -176.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -75.16 -39.81 60.06 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.892 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.574 ' HA ' HG21 ' A' ' 12' ' ' ILE . 92.0 t -66.31 -38.22 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 119.197 -0.43 . . . . 0.0 110.898 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -65.69 -35.55 81.1 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 177.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -73.99 -32.26 63.33 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 123.142 0.276 . . . . 0.0 111.245 178.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 72.4 mmm -86.13 -19.81 29.59 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -175.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.8 p -93.59 -10.97 32.89 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.137 0.494 . . . . 0.0 110.417 172.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -104.84 -164.17 1.02 Allowed 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.722 172.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.3 tttp . . . . . 0 C--N 1.325 -0.466 0 CA-C-O 120.741 0.305 . . . . 0.0 110.439 -177.667 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.6 t . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 88.8 mt -84.66 -18.23 36.03 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 122.957 0.503 . . . . 0.0 111.856 -178.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 84.3 mmm -97.97 107.16 19.58 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.143 0.497 . . . . 0.0 110.73 176.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.576 ' HG3' ' HB3' ' A' ' 7' ' ' ASP . 1.1 pmtp? -156.13 170.17 22.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.733 -177.188 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -95.94 -37.44 10.68 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 164.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.6 p -104.15 -112.46 0.24 Allowed 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.797 -174.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.576 ' HB3' ' HG3' ' A' ' 4' ' ' LYS . 25.6 t70 51.54 33.73 11.07 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 125.698 1.599 . . . . 0.0 111.853 -177.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.58 ' O ' HG12 ' A' ' 12' ' ' ILE . 76.7 p -98.93 -169.07 1.72 Allowed 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 171.324 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -63.6 -27.98 69.61 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -172.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -79.55 -25.97 41.52 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 178.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -81.28 -22.53 38.58 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.203 0.525 . . . . 0.0 109.882 174.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.635 HG21 ' HA ' ' A' ' 69' ' ' VAL . 50.3 mm -65.36 -28.24 43.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.321 173.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.404 ' O ' ' HG2' ' A' ' 17' ' ' ARG . 69.3 mtp180 -65.27 -37.51 87.43 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 122.785 0.434 . . . . 0.0 111.354 176.396 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -77.12 -35.42 56.27 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.797 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.07 -23.31 62.11 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.078 174.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -72.39 -27.1 62.15 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.445 175.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 15.1 mmm-85 -79.72 -19.81 47.96 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 111.522 0.193 . . . . 0.0 111.522 -177.011 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.1 t -74.83 -38.53 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.425 ' HA ' HG21 ' A' ' 35' ' ' VAL . 49.3 m-85 -86.68 -36.02 18.96 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.849 -173.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -92.22 101.19 13.69 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 24.0 mmtp -78.37 -28.95 47.14 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -90.71 -10.91 41.31 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -175.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.15 31.47 72.03 Favored Glycine 0 CA--C 1.533 1.159 0 N-CA-C 115.079 0.792 . . . . 0.0 115.079 176.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -93.02 -18.3 22.85 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 118.54 1.17 . . . . 0.0 112.664 -177.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.27 13.96 37.3 Favored Glycine 0 C--N 1.338 0.657 0 C-N-CA 120.889 -0.672 . . . . 0.0 113.046 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -142.02 130.23 22.19 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 123.912 0.885 . . . . 0.0 109.543 -179.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.3 mt -101.93 109.53 26.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.3 t -90.6 174.87 7.28 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.666 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.06 -27.96 67.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.109 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.4 -30.48 68.46 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 177.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -81.41 -42.76 19.92 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.986 -177.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.6 tp -65.77 -36.9 84.86 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 123.579 0.549 . . . . 0.0 110.69 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -64.12 -41.39 97.24 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 123.765 0.666 . . . . 0.0 111.056 176.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 50.7 t60 -67.41 -38.55 84.79 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 123.802 0.689 . . . . 0.0 111.298 -178.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.425 HG21 ' HA ' ' A' ' 19' ' ' PHE . 84.7 t -71.13 -45.26 72.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 O-C-N 123.418 0.449 . . . . 0.0 111.194 179.32 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.48 ' HG3' HD22 ' A' ' 43' ' ' LEU . 24.3 mmt -65.42 -40.24 93.11 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -176.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.533 HG23 ' HG3' ' A' ' 42' ' ' LYS . 46.5 m -68.61 -33.07 73.41 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 123.291 0.37 . . . . 0.0 111.303 179.197 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -72.41 -32.14 66.11 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 122.843 0.457 . . . . 0.0 111.103 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.3 mt -72.39 -12.04 60.94 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 122.926 0.49 . . . . 0.0 111.762 175.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.97 3.35 83.07 Favored Glycine 0 C--N 1.337 0.594 0 C-N-CA 121.727 -0.273 . . . . 0.0 112.574 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -78.38 -40.54 35.89 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 176.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.533 ' HG3' HG23 ' A' ' 37' ' ' THR . 79.9 tttt 56.68 86.81 0.06 Allowed 'General case' 0 C--N 1.346 0.455 0 O-C-N 125.521 1.763 . . . . 0.0 111.657 174.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.48 HD22 ' HG3' ' A' ' 36' ' ' MET . 5.5 tp -90.12 131.16 36.12 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.865 -174.127 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.9 m -71.0 165.74 22.81 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.479 0.712 . . . . 0.0 110.426 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -51.93 -48.2 64.34 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.224 1.01 . . . . 0.0 112.502 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 43.3 mp0 -66.79 -43.88 82.76 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 123.94 0.775 . . . . 0.0 110.948 177.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.86 -32.34 73.54 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -174.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.0 t -70.42 -41.92 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 175.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.81 -34.55 78.17 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 123.817 0.698 . . . . 0.0 111.293 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 18.5 mm-40 -62.8 -41.92 99.48 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 123.542 0.526 . . . . 0.0 111.421 175.219 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 92.5 mmm -78.14 -28.73 48.48 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -177.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.6 mm -64.71 -51.44 67.36 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.87 0 O-C-N 123.496 0.498 . . . . 0.0 109.737 171.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.1 ptt85 -72.17 -22.35 61.3 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -174.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -77.56 -33.92 53.89 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 120.949 0.404 . . . . 0.0 110.582 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.63 -19.84 21.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.159 -177.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -83.98 123.5 30.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.884 -177.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.444 HD11 ' HB2' ' A' ' 70' ' ' GLN . 66.4 mt -79.15 -42.74 23.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.984 -175.184 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -94.23 -12.24 28.61 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -171.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.11 59.11 6.64 Favored Glycine 0 CA--C 1.534 1.249 0 N-CA-C 114.727 0.651 . . . . 0.0 114.727 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.6 p30 -115.34 -15.72 11.53 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 118.001 0.9 . . . . 0.0 112.224 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.2 -12.5 48.47 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 120.841 -0.695 . . . . 0.0 114.452 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -130.92 135.12 47.38 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 122.404 1.097 . . . . 0.0 110.957 175.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.8 t -94.32 109.82 22.7 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 CA-C-N 113.102 -1.863 . . . . 0.0 107.235 -171.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -73.94 -174.12 1.76 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.906 -177.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.5 ' O ' HG23 ' A' ' 69' ' ' VAL . 77.9 t80 -62.89 -51.17 68.0 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.003 175.011 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -60.56 -34.53 74.3 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.235 1.014 . . . . 0.0 112.942 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -75.87 -29.31 58.47 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.489 -177.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.451 ' HA ' ' ND1' ' A' ' 71' ' ' HIS . 48.8 t80 -74.96 -40.85 60.53 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.679 174.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.635 ' HA ' HG21 ' A' ' 12' ' ' ILE . 52.4 t -66.6 -46.41 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 119.145 -0.455 . . . . 0.0 111.396 -176.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.444 ' HB2' HD11 ' A' ' 57' ' ' ILE . 75.7 mm-40 -64.45 -36.87 85.58 Favored 'General case' 0 C--O 1.221 -0.423 0 O-C-N 123.405 0.441 . . . . 0.0 112.056 -177.191 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.451 ' ND1' ' HA ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -77.49 -24.23 50.16 Favored 'General case' 0 CA--C 1.552 1.038 0 O-C-N 123.708 0.63 . . . . 0.0 111.069 -177.219 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 51.1 mmm -92.28 -25.34 18.64 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 123.099 0.56 . . . . 0.0 112.356 -175.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.1 p -89.9 -25.06 21.17 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.833 177.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.12 147.35 32.76 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 120.873 0.368 . . . . 0.0 110.308 174.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.239 -178.248 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.2 mt -74.86 -42.97 56.92 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 176.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.4 ttt 60.66 36.66 19.54 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 124.825 1.328 . . . . 0.0 111.091 174.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.403 ' HA ' ' HE2' ' A' ' 4' ' ' LYS . 10.0 mmpt? 64.94 99.29 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.183 1.393 . . . . 0.0 112.099 -175.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -70.52 143.5 51.64 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 114.213 -1.358 . . . . 0.0 111.285 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 p -102.74 107.82 18.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.301 177.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -128.33 15.44 6.65 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.838 174.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.469 ' O ' HG12 ' A' ' 12' ' ' ILE . 22.4 m -79.78 -179.76 7.1 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.27 -178.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -18.18 63.97 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.934 0.494 . . . . 0.0 111.542 177.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.517 ' HA ' HH11 ' A' ' 13' ' ' ARG . 10.1 tp10 -63.3 -37.33 86.82 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.168 0.987 . . . . 0.0 111.083 172.483 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -79.87 -30.33 40.22 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.221 178.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.559 HG21 ' HA ' ' A' ' 69' ' ' VAL . 18.3 mm -72.05 -22.41 21.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.254 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.517 HH11 ' HA ' ' A' ' 10' ' ' GLU . 63.1 mtt85 -58.44 -48.37 80.93 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 173.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -81.67 -26.27 34.86 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.752 0.31 . . . . 0.0 111.2 -178.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.433 ' O ' ' HD2' ' A' ' 19' ' ' PHE . . . -70.61 -30.5 67.18 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.021 174.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -70.54 -35.31 73.06 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 123.054 0.542 . . . . 0.0 110.384 175.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.9 mtp85 -69.7 -24.2 63.54 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -175.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.0 p -87.94 -20.35 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 CA-C-O 120.915 0.388 . . . . 0.0 111.285 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.433 ' HD2' ' O ' ' A' ' 15' ' ' ALA . 49.3 m-85 -91.75 -26.74 18.44 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 122.322 -0.236 . . . . 0.0 111.271 177.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -85.79 109.85 18.95 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 172.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -74.93 -25.96 59.27 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.865 -1.061 . . . . 0.0 113.708 -174.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -110.32 -11.75 14.5 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -173.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.57 24.61 67.29 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-O 118.831 -0.983 . . . . 0.0 115.144 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -87.46 -18.81 29.05 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 119.272 1.536 . . . . 0.0 112.838 -175.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.08 10.44 34.42 Favored Glycine 0 C--O 1.219 -0.8 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.196 -178.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.406 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 45.2 m-85 -138.01 130.26 28.99 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.506 0.722 . . . . 0.0 109.475 174.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.4 mt -94.95 108.59 21.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 175.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 m -84.16 172.78 11.61 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.69 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.566 ' O ' ' HB2' ' A' ' 33' ' ' ARG . . . -70.65 -26.21 63.35 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.846 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.49 -29.51 52.61 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.62 0.247 . . . . 0.0 111.221 175.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 35' ' ' VAL . 51.7 mt-10 -70.63 -54.41 12.08 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.119 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.0 tp -65.69 -27.1 68.1 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 123.872 0.732 . . . . 0.0 111.59 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.566 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 29.5 ttt-85 -62.91 -44.36 96.29 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.45 0.7 . . . . 0.0 110.52 178.419 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -75.0 -32.79 61.73 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.814 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 31' ' ' GLU . 66.8 t -68.0 -41.5 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 123.093 0.246 . . . . 0.0 110.868 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.8 mmt -65.61 -40.0 92.13 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.79 0.329 . . . . 0.0 111.72 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 39.8 m -66.57 -35.74 80.95 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.061 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -68.84 -39.94 79.68 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.716 0.807 . . . . 0.0 111.849 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.525 ' HB2' ' HG2' ' A' ' 41' ' ' GLU . 89.8 mt -74.48 -21.21 59.69 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.922 -179.057 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.9 18.87 42.12 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.596 -0.602 . . . . 0.0 111.596 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.525 ' HG2' ' HB2' ' A' ' 39' ' ' LEU . 8.5 mm-40 -78.38 -36.82 45.41 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 175.469 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.3 tttp 58.6 78.8 0.24 Allowed 'General case' 0 C--N 1.349 0.583 0 O-C-N 125.306 1.629 . . . . 0.0 111.156 174.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.502 ' HG ' ' HB2' ' A' ' 47' ' ' GLU . 3.9 tp -109.33 141.47 41.62 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.466 -175.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.2 p -77.25 169.15 18.84 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.175 0.297 . . . . 0.0 110.575 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.471 ' HB2' HH21 ' A' ' 33' ' ' ARG . 35.6 t70 -62.95 -32.72 74.09 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 123.285 0.365 . . . . 0.0 111.167 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.543 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 42.6 mt-10 -67.24 -49.81 63.05 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.315 176.038 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.502 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 51.0 mt-10 -68.35 -32.49 72.63 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -175.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.565 HG21 ' HA ' ' A' ' 33' ' ' ARG . 79.9 t -67.51 -41.72 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 175.279 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.477 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 37.0 t70 -60.44 -40.32 90.67 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.719 0.637 . . . . 0.0 111.685 179.041 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 34.2 mt-10 -66.95 -35.05 79.11 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.655 0.597 . . . . 0.0 111.368 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 87.8 mmm -74.32 -30.86 62.23 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 123.395 0.434 . . . . 0.0 111.85 178.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.4 mm -66.65 -52.25 47.69 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.953 0 O-C-N 123.423 0.452 . . . . 0.0 110.59 174.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 49' ' ' ASP . 2.6 ptt180 -71.11 -21.74 62.17 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -177.004 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -81.09 -26.55 36.14 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.07 0.462 . . . . 0.0 110.751 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.53 -17.56 26.81 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 122.139 -0.351 . . . . 0.0 111.204 175.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -88.92 119.54 29.53 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.243 0.544 . . . . 0.0 110.545 -176.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 79.2 mt -79.92 -46.06 22.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.617 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -88.71 -12.44 42.32 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -166.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.84 53.33 11.69 Favored Glycine 0 CA--C 1.535 1.298 0 N-CA-C 114.439 0.536 . . . . 0.0 114.439 -177.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.4 p30 -109.73 -15.53 14.12 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 117.493 0.647 . . . . 0.0 111.72 174.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.18 -2.93 59.79 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.538 -0.59 . . . . 0.0 113.983 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.406 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 47.9 mt-30 -138.01 131.85 31.33 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-O 122.25 1.024 . . . . 0.0 110.559 177.53 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 26.1 t -91.5 103.23 14.3 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.318 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.009 -169.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -79.3 179.58 7.32 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.718 -178.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -50.18 -51.94 39.68 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -175.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.01 -27.01 61.53 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -176.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -69.35 -39.12 78.32 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 122.856 0.462 . . . . 0.0 110.996 177.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -73.09 -34.89 66.46 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.224 177.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.559 ' HA ' HG21 ' A' ' 12' ' ' ILE . 24.1 t -64.77 -41.77 93.12 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.561 0 O-C-N 123.482 0.488 . . . . 0.0 111.027 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -68.36 -27.96 66.71 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -83.01 -23.29 33.34 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 120.669 0.271 . . . . 0.0 110.85 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.473 ' HB3' HD12 ' A' ' 12' ' ' ILE . 75.7 mmm -92.63 -48.09 6.77 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -176.068 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.9 p -75.22 -29.53 60.3 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 122.332 0.253 . . . . 0.0 111.613 -175.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.64 28.73 4.9 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.153 176.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.2 tttm . . . . . 0 N--CA 1.476 0.851 0 C-N-CA 124.896 1.278 . . . . 0.0 112.529 171.8 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.9 p . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 120.522 0.201 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 2' ' ' LEU . 3.3 mm? -78.99 -37.19 39.9 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.028 174.432 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 87.9 mmm -78.3 108.95 12.01 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.047 172.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -136.04 131.66 35.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.372 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -90.79 114.04 26.32 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.6 t -157.52 128.44 6.6 Favored 'General case' 0 C--O 1.201 -1.45 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -76.75 -3.37 37.83 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.429 -0.794 . . . . 0.0 113.124 -178.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.2 m -76.47 -175.87 3.47 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 122.8 0.44 . . . . 0.0 111.507 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 10.6 pt-20 -59.95 -16.47 30.28 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -177.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -68.69 -36.93 79.14 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.312 1.045 . . . . 0.0 112.301 -177.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -84.83 -23.12 29.2 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.88 0.371 . . . . 0.0 110.265 174.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.507 HG21 ' HA ' ' A' ' 69' ' ' VAL . 19.6 mm -70.57 -22.44 23.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.08 176.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 95.5 mtt-85 -58.66 -46.69 86.62 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.116 0.566 . . . . 0.0 111.156 171.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -76.46 -36.39 57.91 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.868 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.405 ' O ' ' HD1' ' A' ' 19' ' ' PHE . . . -64.21 -33.55 76.07 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 122.964 0.506 . . . . 0.0 111.585 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -65.54 -31.89 73.2 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.086 0.554 . . . . 0.0 111.508 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.4 mmm180 -72.74 -30.38 64.11 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.654 -177.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -79.49 -30.79 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 O-C-N 123.143 0.277 . . . . 0.0 110.495 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.405 ' HD1' ' O ' ' A' ' 15' ' ' ALA . 30.6 m-85 -83.64 -25.11 31.05 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.756 -177.294 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -89.23 110.75 21.47 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 174.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.538 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 10.7 mmpt? -73.3 -22.39 60.36 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -175.077 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -112.79 -11.52 13.47 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.619 0.599 . . . . 0.0 112.619 -176.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.45 21.79 68.89 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-O 118.848 -0.974 . . . . 0.0 115.44 176.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -90.13 -18.75 25.24 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.273 1.536 . . . . 0.0 113.914 -173.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.78 13.2 26.26 Favored Glycine 0 CA--C 1.523 0.533 0 C-N-CA 120.445 -0.883 . . . . 0.0 113.255 -178.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.564 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 48.6 m-85 -137.69 130.81 30.49 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 175.188 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 63' ' ' VAL . 55.5 mt -101.21 107.33 21.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 174.054 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.5 m -83.58 176.08 9.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.696 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.533 ' O ' ' HB2' ' A' ' 33' ' ' ARG . . . -65.98 -36.67 83.95 Favored 'General case' 0 C--O 1.212 -0.879 0 O-C-N 123.188 0.305 . . . . 0.0 111.458 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.05 -32.64 70.85 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 123.294 0.371 . . . . 0.0 111.889 178.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 35' ' ' VAL . 49.4 mt-10 -70.74 -52.74 18.88 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.572 -178.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.6 tp -66.3 -30.86 71.36 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.876 0.735 . . . . 0.0 111.123 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.533 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 33.0 ttm180 -58.39 -47.04 85.17 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.347 1.059 . . . . 0.0 111.558 176.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -70.76 -33.57 70.92 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.486 -177.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.5 HG22 ' HE3' ' A' ' 21' ' ' LYS . 23.3 t -66.87 -43.72 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 123.244 0.34 . . . . 0.0 110.547 176.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.401 ' HG3' HD22 ' A' ' 43' ' ' LEU . 23.6 mmt -64.09 -37.86 88.97 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.867 0.467 . . . . 0.0 111.806 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 54.6 m -66.06 -38.44 88.36 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.012 176.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -71.29 -34.92 71.07 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.425 0.69 . . . . 0.0 112.187 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 95.8 mt -72.53 -27.43 62.23 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 122.685 0.394 . . . . 0.0 111.794 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.5 10.41 44.37 Favored Glycine 0 C--N 1.335 0.483 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 -174.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -76.09 -24.76 55.04 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 123.636 0.774 . . . . 0.0 111.313 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.1 pttt 45.38 53.18 8.43 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 126.05 1.74 . . . . 0.0 113.636 177.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.401 HD22 ' HG3' ' A' ' 36' ' ' MET . 4.4 mp -81.78 130.67 35.14 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.336 178.389 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.26 176.49 7.34 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.247 179.093 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.14 -39.54 93.15 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 122.22 -0.3 . . . . 0.0 111.7 -177.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -70.59 -32.87 70.41 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.366 0.416 . . . . 0.0 111.557 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -70.0 -44.43 69.36 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.38 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.505 HG21 ' HA ' ' A' ' 33' ' ' ARG . 60.4 t -69.44 -33.49 57.62 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.608 0 O-C-N 123.515 0.51 . . . . 0.0 110.374 177.296 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.471 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 23.8 t70 -58.66 -46.77 86.45 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 122.935 0.494 . . . . 0.0 111.645 177.354 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -71.44 -27.23 63.13 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 123.378 0.424 . . . . 0.0 112.058 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.1 mmt -79.42 -27.45 41.74 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.414 HD13 ' HA ' ' A' ' 52' ' ' ILE . 16.6 mm -66.71 -50.21 67.88 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.845 0 O-C-N 123.623 0.577 . . . . 0.0 109.991 174.293 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 49' ' ' ASP . 8.5 ptt180 -73.03 -21.87 60.73 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -72.16 -32.39 66.82 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 120.974 0.416 . . . . 0.0 110.646 173.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.75 -21.06 24.01 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.798 178.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -92.44 121.92 34.38 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.553 -173.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 60.4 mt -79.39 -46.55 23.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.756 -176.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -88.56 -11.49 45.48 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -169.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.09 42.86 57.99 Favored Glycine 0 CA--C 1.538 1.497 0 N-CA-C 115.182 0.833 . . . . 0.0 115.182 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 45.6 p30 -99.79 -16.12 18.2 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 117.66 0.73 . . . . 0.0 112.155 178.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.57 -6.06 67.6 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-O 119.752 -0.471 . . . . 0.0 113.883 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.564 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 11.1 mt-30 -128.68 131.09 47.98 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 121.552 0.691 . . . . 0.0 109.872 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.401 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 58.8 t -96.97 109.76 23.71 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.182 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.59 -170.066 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -65.25 -179.3 0.57 Allowed 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.508 0.671 . . . . 0.0 112.086 177.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -62.71 -45.81 91.02 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.882 167.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -60.87 -38.1 84.44 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.413 0.685 . . . . 0.0 112.76 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -76.25 -32.75 59.04 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 122.899 0.479 . . . . 0.0 111.767 -177.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -71.99 -42.18 66.78 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.514 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.507 ' HA ' HG21 ' A' ' 12' ' ' ILE . 72.3 t -62.53 -39.22 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 O-C-N 123.531 0.519 . . . . 0.0 111.134 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -67.34 -31.6 71.98 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -81.57 -26.49 34.95 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 122.977 0.173 . . . . 0.0 111.294 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 70.9 mmm -83.38 -27.99 29.26 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -178.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.0 p -90.48 -32.74 16.25 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 111.582 0.215 . . . . 0.0 111.582 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.36 -44.51 29.14 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 120.567 0.222 . . . . 0.0 110.829 175.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 85.3 tttt . . . . . 0 N--CA 1.467 0.402 0 O-C-N 125.482 1.739 . . . . 0.0 112.014 173.641 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.7 p . . . . . 0 N--CA 1.471 0.606 0 CA-C-O 120.878 0.37 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.6 mt -76.87 -36.13 56.97 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.157 174.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 88.7 mtp -94.56 91.34 6.54 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.693 0.759 . . . . 0.0 109.39 171.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -95.93 19.59 11.27 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 114.709 -1.132 . . . . 0.0 109.314 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -64.03 -75.05 0.09 Allowed 'General case' 0 C--N 1.344 0.332 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.754 177.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.8 p 48.2 34.8 4.72 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 125.502 1.521 . . . . 0.0 114.052 171.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -80.37 9.52 5.73 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -166.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.7 p -80.83 -170.06 2.49 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.367 0.604 . . . . 0.0 111.628 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 8.0 mp0 -71.2 -14.24 62.19 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.839 -171.138 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.477 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 3.4 mp0 -79.25 -27.17 42.37 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 122.546 0.339 . . . . 0.0 111.341 -177.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -83.31 -25.96 31.04 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 172.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.544 HG21 ' HA ' ' A' ' 69' ' ' VAL . 39.0 mm -68.49 -30.74 48.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 172.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.477 ' HD2' ' HA ' ' A' ' 10' ' ' GLU . 94.0 mtt180 -65.93 -38.89 89.83 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.216 0.606 . . . . 0.0 111.187 171.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -72.74 -34.53 67.11 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.782 0.676 . . . . 0.0 110.862 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.26 -37.23 83.15 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 122.845 0.458 . . . . 0.0 110.449 174.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -64.46 -27.22 68.84 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.528 0.731 . . . . 0.0 110.94 177.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 17' ' ' ARG . 3.3 mmp_? -73.53 -25.85 60.6 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 178.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 t -82.16 -42.05 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 176.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -73.13 -32.54 64.97 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.763 -1.108 . . . . 0.0 112.092 -174.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -91.85 102.85 15.44 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.09 0.471 . . . . 0.0 109.752 175.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.473 ' HE2' HG22 ' A' ' 35' ' ' VAL . 73.4 mmtt -77.67 -29.7 51.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.304 -0.862 . . . . 0.0 113.032 -178.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -96.49 -12.02 24.73 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -173.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.5 27.69 67.11 Favored Glycine 0 CA--C 1.536 1.393 0 N-CA-C 115.41 0.924 . . . . 0.0 115.41 177.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -92.99 -16.14 25.42 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 118.866 1.333 . . . . 0.0 113.045 -175.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.14 13.38 49.32 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.953 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -138.75 130.4 27.58 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.795 0.838 . . . . 0.0 109.376 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.535 ' HB ' ' HB ' ' A' ' 63' ' ' VAL . 65.3 mt -99.16 110.53 26.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.0 p -89.61 171.64 9.53 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.127 176.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.552 ' O ' ' HB2' ' A' ' 33' ' ' ARG . . . -71.04 -22.4 62.14 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.542 178.187 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.94 -35.56 72.27 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 122.427 0.291 . . . . 0.0 111.636 176.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 35' ' ' VAL . 43.3 mt-10 -74.16 -51.18 16.35 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.663 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.8 tp -63.06 -30.23 71.43 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 124.106 0.878 . . . . 0.0 111.746 -178.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.552 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 20.8 ttt-85 -62.46 -43.95 97.58 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.725 0.81 . . . . 0.0 110.974 176.234 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -73.38 -34.5 65.59 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.206 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.473 HG22 ' HE2' ' A' ' 21' ' ' LYS . 96.5 t -69.25 -45.95 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 123.347 0.404 . . . . 0.0 110.792 -177.21 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 30.3 mmt -61.31 -45.14 95.71 Favored 'General case' 0 C--O 1.223 -0.341 0 O-C-N 123.313 0.383 . . . . 0.0 111.738 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 m -70.16 -29.56 66.49 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -74.58 -42.51 58.59 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.003 0.521 . . . . 0.0 111.527 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.2 mp -73.77 -15.01 61.21 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -178.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.48 5.81 42.13 Favored Glycine 0 C--N 1.337 0.603 0 C-N-CA 121.296 -0.478 . . . . 0.0 113.171 176.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -76.38 -42.78 43.31 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 122.712 0.405 . . . . 0.0 110.066 178.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt 54.3 69.54 0.71 Allowed 'General case' 0 N--CA 1.473 0.692 0 O-C-N 124.803 1.314 . . . . 0.0 111.607 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.419 ' HG ' ' HB2' ' A' ' 47' ' ' GLU . 11.0 tp -89.51 143.9 26.45 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.757 -173.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.03 158.53 35.5 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.475 0.485 . . . . 0.0 110.569 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -55.31 -47.67 75.26 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.324 1.05 . . . . 0.0 113.009 -177.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -72.1 -27.08 62.42 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 178.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.419 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 32.8 mm-40 -72.07 -35.49 69.28 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 123.258 0.349 . . . . 0.0 111.063 176.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 70.6 t -64.06 -39.99 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 123.471 0.708 . . . . 0.0 110.419 174.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -59.91 -39.13 84.37 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.381 0.672 . . . . 0.0 111.154 175.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.54 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 44.8 mt-10 -73.0 -31.21 64.35 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.393 -179.101 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 72.2 mmm -73.85 -32.23 63.55 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.095 0.158 . . . . 0.0 110.655 175.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.5 mm -68.65 -46.46 79.81 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.631 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.029 175.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.54 ' HG2' ' HA ' ' A' ' 50' ' ' GLU . 17.5 ptm180 -71.88 -24.91 61.74 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -176.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -71.22 -38.35 72.01 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-O 120.791 0.329 . . . . 0.0 111.243 174.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.53 -18.13 36.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.872 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -86.22 115.17 23.6 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.923 0.868 . . . . 0.0 109.271 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.445 HD11 ' HB2' ' A' ' 70' ' ' GLN . 85.3 mt -79.49 -36.34 17.65 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.031 0 CA-C-N 114.207 -1.361 . . . . 0.0 111.059 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -100.28 -12.37 19.56 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 -170.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.15 59.62 5.32 Favored Glycine 0 CA--C 1.54 1.635 0 N-CA-C 114.935 0.734 . . . . 0.0 114.935 -176.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.1 p30 -114.6 -15.52 11.97 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 118.124 0.962 . . . . 0.0 111.949 175.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.96 -10.46 44.39 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 121.701 -0.285 . . . . 0.0 113.304 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -126.57 157.5 38.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 122.153 0.977 . . . . 0.0 110.985 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.535 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 54.0 t -113.68 107.46 22.99 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -173.011 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -76.6 -173.04 2.41 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -178.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -65.72 -50.93 63.04 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.32 177.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -59.11 -34.03 71.54 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.284 1.034 . . . . 0.0 112.448 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -76.46 -36.78 57.69 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.604 -177.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -70.09 -44.83 68.25 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.734 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.544 ' HA ' HG21 ' A' ' 12' ' ' ILE . 55.7 t -63.88 -46.91 92.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 O-C-N 123.886 0.741 . . . . 0.0 111.884 -176.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.445 ' HB2' HD11 ' A' ' 57' ' ' ILE . 91.5 mm-40 -68.94 -24.23 64.25 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -176.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -83.03 -33.66 26.43 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 119.765 -0.159 . . . . 0.0 110.976 175.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 60.4 mmm -76.09 -38.51 56.88 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -175.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.5 p -86.66 -26.51 24.29 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -176.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.26 -31.04 17.15 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.79 0.329 . . . . 0.0 111.366 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.2 tttm . . . . . 0 CA--C 1.538 0.481 0 CA-C-O 122.056 0.931 . . . . 0.0 110.199 -176.711 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 120.423 0.154 . . . . 0.0 111.414 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.2 mt -111.76 145.03 40.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.636 0.255 . . . . 0.0 110.632 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 59.8 ttp -108.24 -52.75 2.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.727 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.0 mttp 63.25 -171.5 0.17 Allowed 'General case' 0 N--CA 1.481 1.095 0 O-C-N 124.545 1.153 . . . . 0.0 112.407 -176.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -73.9 -53.27 10.53 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 171.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.4 m -120.5 137.75 54.2 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 114.208 -1.36 . . . . 0.0 107.376 172.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -81.86 14.6 2.63 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 122.938 0.495 . . . . 0.0 112.289 -173.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.5 m 68.19 -121.81 0.18 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.617 1.567 . . . . 0.0 111.866 173.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -78.04 -25.17 47.67 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.745 0.783 . . . . 0.0 109.915 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.555 ' HA ' ' HG3' ' A' ' 13' ' ' ARG . 46.2 mt-10 -77.83 -21.06 52.08 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.533 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -61.52 -36.04 79.41 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.739 0.781 . . . . 0.0 110.263 167.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.534 HG21 ' HA ' ' A' ' 69' ' ' VAL . 19.2 mm -75.68 -21.84 16.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 114.455 -1.248 . . . . 0.0 111.005 -174.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.555 ' HG3' ' HA ' ' A' ' 10' ' ' GLU . 52.6 mtm180 -57.9 -43.46 86.15 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.474 0.309 . . . . 0.0 111.399 175.177 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.48 -37.94 77.48 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.75 0.82 . . . . 0.0 111.539 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.52 ' O ' ' HD1' ' A' ' 19' ' ' PHE . . . -66.03 -42.16 89.98 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 123.051 0.219 . . . . 0.0 110.67 175.164 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -61.84 -30.21 70.69 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.161 0.985 . . . . 0.0 111.399 175.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -74.88 -23.65 58.42 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.17 0.988 . . . . 0.0 111.721 -175.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -75.86 -41.42 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 173.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.52 ' HD1' ' O ' ' A' ' 15' ' ' ALA . 60.9 m-85 -78.21 -33.8 49.72 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 114.64 -1.164 . . . . 0.0 112.115 -170.495 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -87.5 108.21 18.92 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 173.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.503 ' HE2' HG22 ' A' ' 35' ' ' VAL . 72.3 mmtt -78.58 -25.25 45.24 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.62 0.971 . . . . 0.0 113.62 -176.183 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -100.99 -11.27 19.82 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -177.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.86 40.94 93.72 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 114.844 0.697 . . . . 0.0 114.844 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -98.84 -18.22 18.03 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 118.492 1.146 . . . . 0.0 112.314 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.66 10.96 34.14 Favored Glycine 0 C--O 1.222 -0.654 0 C-N-CA 120.61 -0.805 . . . . 0.0 113.544 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.537 ' CE1' ' HB3' ' A' ' 64' ' ' ASN . 39.4 m-85 -141.46 130.3 23.01 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 117.162 0.481 . . . . 0.0 110.155 174.487 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.4 mt -100.71 119.47 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.3 p -96.69 178.49 5.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.134 175.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.77 -23.08 60.76 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.891 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.88 -38.01 70.08 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 120.474 0.178 . . . . 0.0 110.922 176.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 35' ' ' VAL . 41.1 mt-10 -70.62 -49.63 45.57 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.957 0.786 . . . . 0.0 111.043 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.4 tp -66.97 -28.77 68.54 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 123.97 0.794 . . . . 0.0 112.095 -176.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.607 ' HA ' HG21 ' A' ' 48' ' ' VAL . 56.5 ttt-85 -67.88 -37.53 81.9 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.129 0.172 . . . . 0.0 110.889 178.058 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -69.59 -39.39 77.3 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.088 176.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.505 HG21 ' HA ' ' A' ' 19' ' ' PHE . 43.0 t -68.22 -41.93 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 O-C-N 123.249 0.343 . . . . 0.0 111.355 -178.226 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.8 mmt -62.48 -46.99 85.94 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 122.622 0.369 . . . . 0.0 111.835 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.7 m -72.75 -24.84 61.01 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.584 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -71.03 -45.25 64.23 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 122.876 0.47 . . . . 0.0 110.764 175.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.55 -20.12 60.72 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.424 -175.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.22 18.38 9.25 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.654 -0.784 . . . . 0.0 113.181 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -84.3 -43.58 14.67 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 176.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? 59.43 90.31 0.05 Allowed 'General case' 0 N--CA 1.473 0.69 0 O-C-N 125.301 1.625 . . . . 0.0 109.478 -174.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.499 ' HG ' ' HB2' ' A' ' 47' ' ' GLU . 5.3 tp -124.84 135.89 53.33 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.753 -174.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.1 p -77.41 168.6 19.75 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.428 0.455 . . . . 0.0 110.164 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -63.12 -30.48 71.63 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -177.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 40.2 mt-10 -72.17 -41.83 66.61 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.67 0.606 . . . . 0.0 111.166 177.062 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.499 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 47.7 mt-10 -71.51 -33.12 68.94 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 123.448 0.468 . . . . 0.0 111.057 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.607 HG21 ' HA ' ' A' ' 33' ' ' ARG . 45.1 t -70.63 -35.27 60.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 123.697 0.799 . . . . 0.0 111.001 175.638 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -67.1 -31.91 72.71 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 122.61 0.364 . . . . 0.0 111.263 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 7.7 mm-40 -65.67 -35.84 81.93 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.655 0.382 . . . . 0.0 110.711 173.196 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 94.8 mmm -76.72 -31.56 57.23 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.694 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.2 mm -67.45 -46.08 84.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.82 0 O-C-N 123.581 0.551 . . . . 0.0 110.669 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.9 ptt85 -73.68 -21.0 60.39 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 123.42 0.45 . . . . 0.0 111.971 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -77.05 -31.58 56.28 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 122.819 0.448 . . . . 0.0 110.693 175.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.55 -16.11 29.4 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.938 178.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -87.04 122.53 30.99 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.333 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 74.2 mt -79.88 -34.82 15.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.069 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -104.18 -11.1 17.46 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -171.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.89 41.17 62.73 Favored Glycine 0 CA--C 1.538 1.518 0 CA-C-O 119.162 -0.799 . . . . 0.0 114.964 -177.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.5 p30 -94.46 -16.01 23.74 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 118.367 1.084 . . . . 0.0 112.462 176.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.07 3.7 56.76 Favored Glycine 0 CA--C 1.527 0.824 0 O-C-N 123.214 0.321 . . . . 0.0 113.332 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.423 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 32.6 mt-30 -135.86 137.17 41.19 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.894 0.855 . . . . 0.0 109.784 178.218 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.8 t -104.92 109.12 26.62 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.693 -175.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.537 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 4.4 p30 -87.38 -175.96 5.45 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.253 177.44 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.4 ' O ' HG23 ' A' ' 69' ' ' VAL . 57.1 t80 -51.54 -53.41 38.13 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 123.906 0.882 . . . . 0.0 113.226 -177.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.55 -28.61 63.98 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -175.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.35 -36.44 76.9 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 123.558 0.536 . . . . 0.0 110.895 175.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -75.99 -40.17 54.3 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.084 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.534 ' HA ' HG21 ' A' ' 12' ' ' ILE . 72.4 t -61.33 -44.04 97.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 122.877 0.471 . . . . 0.0 110.748 177.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -67.79 -20.76 65.24 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -84.04 -28.15 27.84 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 122.164 -0.335 . . . . 0.0 110.649 175.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 79.2 mmm -86.28 -49.08 7.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.549 -175.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.6 p -83.4 -36.55 24.2 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -173.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.44 164.82 14.14 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.238 0.542 . . . . 0.0 111.649 -176.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.4 tttt . . . . . 0 C--O 1.235 0.334 0 CA-C-N 114.66 -1.154 . . . . 0.0 111.451 -173.963 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.2 p . . . . . 0 N--CA 1.475 0.791 0 CA-C-O 119.307 -0.377 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 52.3 tp 60.0 81.91 0.17 Allowed 'General case' 0 N--CA 1.478 0.958 0 O-C-N 124.543 1.152 . . . . 0.0 109.939 -171.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 88.4 mmm -96.62 82.28 3.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.654 -170.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.421 ' HE3' ' HB2' ' A' ' 4' ' ' LYS . 41.7 mtmt 53.86 86.23 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.409 1.483 . . . . 0.0 113.328 179.322 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -87.63 103.77 15.89 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 173.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.413 ' HA ' ' OE2' ' A' ' 11' ' ' GLU . 16.4 m -113.51 116.59 29.81 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.227 -174.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -89.31 -87.57 0.17 Allowed 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -172.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.521 ' O ' HG12 ' A' ' 12' ' ' ILE . 79.9 p -144.5 -161.51 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -169.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.8 -16.4 62.18 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 122.735 0.414 . . . . 0.0 111.422 178.032 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.559 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 43.3 mt-10 -71.73 -27.56 63.09 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.882 0.473 . . . . 0.0 111.222 174.624 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.413 ' OE2' ' HA ' ' A' ' 6' ' ' THR . 30.4 tt0 -85.06 -27.33 26.41 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.048 0.452 . . . . 0.0 110.141 173.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.521 HG12 ' O ' ' A' ' 8' ' ' SER . 31.8 mm -68.93 -21.94 26.0 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.901 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.1 176.028 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.559 ' HD3' ' HA ' ' A' ' 10' ' ' GLU . 16.2 mtp180 -56.38 -41.63 76.54 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.067 0.547 . . . . 0.0 112.143 168.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -81.37 -35.27 31.02 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.581 0.352 . . . . 0.0 111.16 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.82 -26.52 66.11 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.924 0.392 . . . . 0.0 111.327 177.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -69.87 -32.67 71.16 Favored 'General case' 0 C--O 1.207 -1.162 0 C-N-CA 123.413 0.685 . . . . 0.0 110.218 173.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -80.05 -14.84 58.23 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -177.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.41 -34.36 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 172.029 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -87.91 -44.57 10.95 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.496 -175.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -84.5 107.09 16.55 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 174.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -78.1 -33.76 50.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.783 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -91.42 -12.32 35.11 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -171.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.14 46.4 94.07 Favored Glycine 0 CA--C 1.529 0.961 0 CA-C-O 119.372 -0.682 . . . . 0.0 114.624 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -99.84 -14.52 18.75 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.142 0.971 . . . . 0.0 111.891 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.442 ' O ' ' HA ' ' A' ' 64' ' ' ASN . . . 100.1 10.58 45.19 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.781 -178.284 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.49 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 52.5 m-85 -140.66 130.52 24.48 Favored 'General case' 0 CA--C 1.524 -0.033 0 C-N-CA 123.396 0.678 . . . . 0.0 110.419 178.641 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.4 mt -95.8 107.41 19.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 169.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.7 p -84.26 177.43 8.19 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.354 177.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.466 ' O ' ' HB2' ' A' ' 33' ' ' ARG . . . -70.61 -21.51 62.64 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.697 178.258 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.22 -36.19 63.93 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.487 0.184 . . . . 0.0 110.92 175.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -74.22 -44.61 52.52 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.863 -177.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.403 HD23 HG13 ' A' ' 48' ' ' VAL . 23.3 tp -69.61 -31.38 69.48 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.504 0.502 . . . . 0.0 110.902 179.081 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 63.4 ttt-85 -65.82 -34.18 77.57 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.143 0.577 . . . . 0.0 111.165 176.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -78.94 -41.9 28.23 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.031 -175.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.454 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 27.7 m -76.78 -33.73 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -174.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.507 ' HG3' HD22 ' A' ' 43' ' ' LEU . 21.2 mmt -66.85 -50.54 62.18 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 117.866 0.303 . . . . 0.0 110.993 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.7 m -60.47 -32.04 71.02 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 124.209 0.943 . . . . 0.0 111.708 177.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -72.16 -33.8 67.99 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 122.82 0.448 . . . . 0.0 111.775 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 95.3 mt -73.5 -25.29 60.37 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 122.407 0.283 . . . . 0.0 111.746 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.52 -5.31 8.66 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.366 177.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -98.37 132.5 43.79 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -104.6 76.41 1.29 Allowed 'General case' 0 C--N 1.295 -1.783 0 CA-C-O 121.677 0.751 . . . . 0.0 110.758 -170.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.507 HD22 ' HG3' ' A' ' 36' ' ' MET . 4.9 mp -81.93 122.7 28.09 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.085 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.1 p -76.3 177.21 7.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.718 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -65.73 -28.89 69.38 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -71.23 -45.94 62.2 Favored 'General case' 0 C--O 1.223 -0.339 0 O-C-N 123.85 0.719 . . . . 0.0 109.915 175.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.3 -43.0 87.51 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.925 0.765 . . . . 0.0 112.207 -177.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.403 HG13 HD23 ' A' ' 32' ' ' LEU . 93.0 t -64.44 -41.8 93.4 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.448 0 O-C-N 123.855 0.722 . . . . 0.0 110.779 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -58.62 -43.85 89.79 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.235 0.614 . . . . 0.0 112.112 178.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.493 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 47.3 mt-10 -75.2 -29.82 60.44 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.68 -178.338 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 93.0 mmm -73.55 -31.08 63.46 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 121.977 0.111 . . . . 0.0 111.244 175.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 21.2 mm -68.71 -48.87 69.17 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.754 0 O-C-N 123.606 0.566 . . . . 0.0 110.828 175.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.493 ' HG2' ' HA ' ' A' ' 50' ' ' GLU . 14.1 ptp180 -73.16 -25.65 60.89 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -173.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -85.78 -11.05 54.51 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.986 0.422 . . . . 0.0 111.366 177.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.97 -13.64 19.01 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.691 173.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -94.97 121.61 36.76 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.348 -175.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 82.1 mt -79.69 -46.83 22.47 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.554 -175.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -86.12 -11.89 51.45 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -171.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.87 43.75 57.68 Favored Glycine 0 CA--C 1.534 1.249 0 N-CA-C 114.792 0.677 . . . . 0.0 114.792 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 45.4 p30 -99.98 -15.82 18.16 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.032 0.916 . . . . 0.0 111.664 176.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.44 0.86 62.65 Favored Glycine 0 CA--C 1.532 1.131 0 CA-C-O 119.668 -0.518 . . . . 0.0 114.231 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.49 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 23.3 mt-30 -136.07 131.03 34.34 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.049 0.925 . . . . 0.0 109.975 175.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 54.6 t -90.09 109.66 20.93 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.268 -170.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' A' ' 25' ' ' GLY . 50.0 m-80 -64.04 178.79 0.61 Allowed 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.664 0.745 . . . . 0.0 112.329 177.043 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -58.24 -47.08 84.64 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.033 165.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.543 ' HG3' ' HG3' ' A' ' 67' ' ' GLU . 7.9 pt-20 -58.87 -40.83 85.52 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.38 0.672 . . . . 0.0 112.389 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.543 ' HG3' ' HG3' ' A' ' 66' ' ' GLU . 52.2 mt-10 -76.88 -32.82 57.74 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.062 -174.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -77.11 -30.28 55.17 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-O 118.993 -0.527 . . . . 0.0 110.559 176.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.516 ' HA ' HG21 ' A' ' 12' ' ' ILE . 31.1 t -64.27 -46.84 92.12 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.92 0 CA-C-N 117.984 0.356 . . . . 0.0 110.105 174.214 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -71.01 -24.65 62.41 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.34 0.59 . . . . 0.0 112.044 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -73.71 -33.03 64.21 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.107 0.963 . . . . 0.0 110.654 173.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 63.5 mmm -91.08 -23.54 20.29 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -175.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.6 p -96.18 -19.98 18.93 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -177.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -116.34 -163.35 0.9 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.207 176.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.1 mttp . . . . . 0 CA--C 1.534 0.341 0 CA-C-O 121.157 0.504 . . . . 0.0 111.378 -177.164 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 N--CA 1.476 0.836 0 CA-C-O 120.808 0.337 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 88.3 mt -116.15 114.55 24.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.351 -177.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.3 mmt -94.88 80.56 3.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.768 0.794 . . . . 0.0 110.873 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -114.05 -81.24 0.6 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.468 -1.242 . . . . 0.0 108.129 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 72.1 -25.59 0.18 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 125.851 1.661 . . . . 0.0 115.226 168.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.476 ' HB ' HD13 ' A' ' 12' ' ' ILE . 16.9 p -65.89 105.7 1.37 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.733 0.813 . . . . 0.0 111.77 -176.072 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -103.79 -61.59 1.41 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.246 -172.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.0 m -91.1 163.65 14.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.48 -172.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -63.99 -32.54 74.12 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.332 0.653 . . . . 0.0 111.067 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -72.19 -22.93 61.2 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.855 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -84.69 -24.03 29.12 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 120.631 0.253 . . . . 0.0 110.649 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.58 HG21 ' HA ' ' A' ' 69' ' ' VAL . 18.7 mm -71.0 -22.86 23.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.224 176.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.521 ' HG2' ' CE1' ' A' ' 65' ' ' TYR . 56.4 mtm180 -60.07 -39.96 87.87 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.907 0.483 . . . . 0.0 111.612 177.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -76.56 -39.2 53.49 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.583 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.19 -35.26 79.72 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 123.814 0.696 . . . . 0.0 111.312 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -62.23 -35.24 78.31 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.692 0.797 . . . . 0.0 111.755 177.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 45.7 mtm180 -77.96 -16.84 57.84 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -176.279 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -85.4 -37.88 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 174.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -74.42 -31.81 62.44 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.656 -176.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -83.34 106.15 14.87 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 172.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -78.12 -21.92 49.63 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -174.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -104.7 -11.19 17.0 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -177.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.54 37.55 78.18 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 114.997 0.759 . . . . 0.0 114.997 177.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -100.81 -10.88 20.33 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 118.6 1.2 . . . . 0.0 112.891 -177.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.65 13.73 46.34 Favored Glycine 0 C--N 1.334 0.42 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.916 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.565 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 69.6 m-85 -142.4 130.15 21.59 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 123.904 0.881 . . . . 0.0 109.816 -178.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' A' ' 63' ' ' VAL . 69.4 mt -102.23 118.52 49.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.2 p -92.25 177.49 6.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.48 177.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.85 -24.81 62.59 Favored 'General case' 0 C--O 1.208 -1.084 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.856 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.03 -30.46 44.18 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 122.132 -0.355 . . . . 0.0 111.467 177.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -73.39 -44.93 57.53 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 123.217 0.323 . . . . 0.0 111.519 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.9 tp -71.4 -29.82 65.38 Favored 'General case' 0 C--O 1.22 -0.448 0 O-C-N 123.72 0.637 . . . . 0.0 110.521 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.454 ' HA ' HG21 ' A' ' 48' ' ' VAL . 5.5 ttp180 -65.85 -38.16 88.12 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.756 174.187 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -74.32 -37.31 63.64 Favored 'General case' 0 N--CA 1.438 -1.026 0 O-C-N 123.787 0.679 . . . . 0.0 109.55 -171.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.8 m -76.87 -27.85 16.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.9 mmt -70.54 -40.26 73.52 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 121.132 0.491 . . . . 0.0 110.666 175.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 26.9 m -72.88 -32.59 65.49 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.877 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -67.77 -32.58 73.27 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.874 0.47 . . . . 0.0 112.125 175.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.0 mt -77.36 -8.16 57.24 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 122.647 0.379 . . . . 0.0 111.979 178.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.19 3.47 79.0 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 121.74 -0.267 . . . . 0.0 113.006 177.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -80.9 -37.17 30.15 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 76.7 tttt 62.11 81.64 0.19 Allowed 'General case' 0 C--N 1.349 0.549 0 O-C-N 125.213 1.571 . . . . 0.0 111.362 171.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 tp -98.41 137.96 36.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.025 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -75.71 168.03 20.78 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.16 0.288 . . . . 0.0 111.413 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -59.55 -41.61 90.51 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.51 -173.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 40.2 mt-10 -74.29 -36.13 63.74 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.913 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.04 -37.44 87.59 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.695 0.398 . . . . 0.0 112.013 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.454 HG21 ' HA ' ' A' ' 33' ' ' ARG . 93.3 t -70.73 -32.97 50.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.711 179.095 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -69.43 -30.74 68.74 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.105 0.162 . . . . 0.0 110.646 176.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 12.7 mm-40 -67.4 -32.89 74.1 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 122.872 0.469 . . . . 0.0 111.14 171.486 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 99.1 mmm -76.6 -28.25 56.09 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.071 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.8 mm -69.31 -42.4 81.29 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.882 0 O-C-N 123.376 0.422 . . . . 0.0 110.752 176.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.7 ptt85 -73.4 -22.7 60.18 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.233 0.47 . . . . 0.0 112.074 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -82.22 -16.66 48.82 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.074 0.149 . . . . 0.0 111.365 175.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.56 -32.97 11.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.93 0.395 . . . . 0.0 111.26 177.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -83.48 118.86 24.05 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.659 0.742 . . . . 0.0 110.58 -174.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 58.1 mt -79.99 -47.41 21.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 114.056 -1.429 . . . . 0.0 110.785 -178.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -88.22 -12.18 44.53 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -165.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.41 56.61 7.47 Favored Glycine 0 CA--C 1.534 1.27 0 N-CA-C 114.397 0.519 . . . . 0.0 114.397 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.9 p30 -115.34 -15.26 11.58 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 117.551 0.676 . . . . 0.0 112.513 175.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.55 -16.08 56.75 Favored Glycine 0 CA--C 1.534 1.228 0 N-CA-C 114.406 0.522 . . . . 0.0 114.406 -178.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.565 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 66.4 mt-30 -125.91 133.7 51.8 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 122.026 0.917 . . . . 0.0 110.654 -179.044 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.415 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 61.2 t -97.64 110.32 25.17 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 CA-C-N 113.85 -1.523 . . . . 0.0 108.777 -168.154 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.5 -173.63 3.44 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.521 ' CE1' ' HG2' ' A' ' 13' ' ' ARG . 35.5 t80 -59.27 -53.02 62.98 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.21 176.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.84 -29.72 70.88 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -76.21 -35.61 58.98 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.023 0.529 . . . . 0.0 111.022 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -72.04 -33.09 67.72 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.948 178.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.58 ' HA ' HG21 ' A' ' 12' ' ' ILE . 80.6 t -67.02 -38.44 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 122.677 0.391 . . . . 0.0 111.007 -178.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -68.13 -33.04 73.75 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -81.05 -20.03 42.53 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.372 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 78.6 mmm -89.4 -26.76 20.84 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.3 p -88.94 -36.11 16.09 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.978 0.418 . . . . 0.0 110.882 178.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -105.81 -160.38 0.75 Allowed 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.67 173.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.2 mttp . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.448 171.197 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.5 m . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 120.65 0.262 . . . . 0.0 111.465 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 37.4 tp -159.3 81.16 0.76 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.68 -174.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 47.9 tpp 74.07 -27.57 0.19 Allowed 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 166.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -87.71 1.6 53.37 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.562 -0.711 . . . . 0.0 111.619 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.17 115.59 16.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.132 -172.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 p -85.84 104.57 15.63 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.272 -178.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -121.66 16.94 11.16 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.194 172.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.452 ' O ' HG12 ' A' ' 12' ' ' ILE . 50.7 m -71.47 168.02 18.4 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 114.767 -1.106 . . . . 0.0 111.19 178.077 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -59.35 -34.3 72.2 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.156 0.982 . . . . 0.0 113.101 -172.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -67.21 -33.02 74.49 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.773 0.829 . . . . 0.0 112.157 177.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -78.14 -28.47 48.44 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.614 0.245 . . . . 0.0 110.636 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.586 HG21 ' HA ' ' A' ' 69' ' ' VAL . 16.5 mm -69.45 -22.18 25.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.642 178.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HG2' ' CE1' ' A' ' 65' ' ' TYR . 67.3 mtp180 -58.12 -47.0 84.64 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.758 0.423 . . . . 0.0 111.75 175.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -81.74 -30.56 32.39 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.036 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.01 -29.72 70.66 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 122.656 0.383 . . . . 0.0 111.544 176.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -68.73 -35.23 76.85 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.515 175.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.6 mtt180 -74.3 -18.16 60.75 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -176.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.96 -38.01 35.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 174.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -80.28 -42.55 22.91 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.71 -175.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.91 105.69 13.23 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.349 178.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -78.47 -29.5 46.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.845 -1.07 . . . . 0.0 112.764 -176.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -96.15 -11.7 25.81 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -174.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.89 25.41 75.81 Favored Glycine 0 CA--C 1.535 1.286 0 N-CA-C 115.523 0.969 . . . . 0.0 115.523 177.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -85.21 -16.31 40.72 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 118.734 1.267 . . . . 0.0 112.274 -177.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.91 10.51 52.22 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.856 -0.688 . . . . 0.0 113.113 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.531 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 69.2 m-85 -138.91 129.87 26.49 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.302 0.641 . . . . 0.0 109.934 177.072 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.9 mt -92.33 109.15 21.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 176.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 76.2 p -82.04 173.32 12.28 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.212 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.69 -26.57 65.36 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.644 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.75 -35.5 72.68 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 122.419 0.288 . . . . 0.0 111.579 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 35' ' ' VAL . 41.6 mt-10 -72.18 -51.74 19.81 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.323 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.5 tp -66.99 -31.38 71.9 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 123.888 0.742 . . . . 0.0 111.614 -176.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.609 ' HA ' HG21 ' A' ' 48' ' ' VAL . 34.0 ttt180 -64.14 -43.65 94.57 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.118 0.567 . . . . 0.0 110.91 177.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -71.32 -35.07 71.11 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.004 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 31' ' ' GLU . 97.1 t -66.74 -45.46 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 122.683 0.393 . . . . 0.0 110.913 177.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.424 ' HB3' ' HB2' ' A' ' 43' ' ' LEU . 23.0 mmt -61.44 -43.98 97.91 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.053 0.541 . . . . 0.0 111.815 178.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 90.3 m -65.64 -39.39 91.39 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.517 177.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -68.34 -36.77 79.74 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.4 0.68 . . . . 0.0 111.946 -177.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.1 mt -80.95 -24.03 38.39 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.0 -177.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.15 24.6 4.13 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.434 174.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.419 ' HB3' HD13 ' A' ' 43' ' ' LEU . 6.5 mp0 -95.57 -33.66 12.31 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 122.481 0.313 . . . . 0.0 110.416 176.108 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 61.79 32.82 18.06 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 124.711 1.257 . . . . 0.0 112.395 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.424 ' HB2' ' HB3' ' A' ' 36' ' ' MET . 2.4 mp -61.83 124.44 20.76 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 123.505 0.503 . . . . 0.0 110.691 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.1 p -73.05 174.34 8.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.987 -177.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.31 -33.38 75.69 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.106 -177.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.16 -44.5 79.58 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.236 175.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -67.66 -36.7 81.21 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.609 HG21 ' HA ' ' A' ' 33' ' ' ARG . 92.5 t -70.85 -31.12 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.363 178.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.66 -33.75 76.69 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 122.236 0.214 . . . . 0.0 110.863 176.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.418 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 5.3 mm-40 -69.39 -37.71 77.65 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.122 0.569 . . . . 0.0 111.197 175.114 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.4 mmt -72.34 -33.75 67.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.712 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.5 mm -70.72 -41.73 77.61 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 O-C-N 123.35 0.406 . . . . 0.0 110.443 176.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.418 ' HG2' ' HA ' ' A' ' 50' ' ' GLU . 25.9 ptt180 -71.92 -22.26 61.5 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -175.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -90.71 -21.14 21.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.733 0.301 . . . . 0.0 111.225 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.79 -19.78 23.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.459 177.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.37 111.6 21.93 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.692 0.758 . . . . 0.0 110.777 -175.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.485 HD11 ' HB2' ' A' ' 70' ' ' GLN . 63.6 mt -79.68 -42.46 22.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.993 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -89.34 -12.07 41.53 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -170.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.53 57.41 8.2 Favored Glycine 0 CA--C 1.536 1.384 0 N-CA-C 114.878 0.711 . . . . 0.0 114.878 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.6 p30 -115.45 -15.99 11.44 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 117.705 0.753 . . . . 0.0 112.267 174.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.5 -6.87 49.93 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 120.83 -0.7 . . . . 0.0 114.651 -178.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.531 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 35.7 mt-30 -138.1 134.02 34.16 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.01 0.905 . . . . 0.0 111.091 177.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.4 t -89.11 105.54 16.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 CA-C-N 114.593 -1.185 . . . . 0.0 110.665 -169.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -83.12 -177.07 6.63 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 121.32 -0.152 . . . . 0.0 110.717 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.402 ' CE1' ' HG2' ' A' ' 13' ' ' ARG . 62.1 t80 -50.23 -54.24 22.45 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -176.42 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.21 -27.89 65.88 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 118.063 0.392 . . . . 0.0 112.011 -175.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -72.97 -34.39 66.44 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.212 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.519 ' HA ' ' HB3' ' A' ' 71' ' ' HIS . 63.6 t80 -83.95 -25.07 30.37 Favored 'General case' 0 C--O 1.209 -1.04 0 C-N-CA 123.544 0.738 . . . . 0.0 111.17 178.291 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.586 ' HA ' HG21 ' A' ' 12' ' ' ILE . 64.2 t -67.83 -47.77 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-N 118.454 0.57 . . . . 0.0 109.684 172.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.485 ' HB2' HD11 ' A' ' 57' ' ' ILE . 17.2 mm100 -72.4 -21.09 61.32 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 177.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.519 ' HB3' ' HA ' ' A' ' 68' ' ' PHE . 10.6 t-160 -68.25 -50.03 56.7 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.496 0.718 . . . . 0.0 109.291 168.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 57.0 mmm -75.96 -25.56 56.01 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -171.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.3 p -94.97 -7.7 39.09 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.02 174.87 10.49 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.92 0.39 . . . . 0.0 111.192 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt . . . . . 0 C--N 1.321 -0.671 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.87 -172.141 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.476 0.866 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 59.8 tp -118.35 104.22 10.53 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.217 0.532 . . . . 0.0 109.973 175.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.0 ttt -93.14 114.27 26.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.037 175.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -96.65 -173.62 2.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.708 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -72.91 -39.47 66.29 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.819 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.5 p 49.11 75.52 0.15 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.673 1.589 . . . . 0.0 113.315 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -126.18 -12.88 6.28 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.239 168.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.437 ' O ' HG12 ' A' ' 12' ' ' ILE . 5.6 t -87.94 -149.49 0.17 Allowed 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.752 -176.222 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.38 -19.93 62.44 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.284 1.033 . . . . 0.0 113.018 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -70.85 -32.92 70.09 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.908 0.883 . . . . 0.0 111.379 178.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.32 -25.87 31.1 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.073 178.206 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.526 HG21 ' HA ' ' A' ' 69' ' ' VAL . 22.4 mm -66.46 -23.01 30.8 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.089 176.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.515 ' HG2' ' CE1' ' A' ' 65' ' ' TYR . 98.1 mtt180 -64.23 -38.57 91.52 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.828 0.451 . . . . 0.0 111.731 172.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 38.9 tt0 -80.18 -27.62 38.9 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.299 179.193 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.84 -26.45 60.59 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.006 0.431 . . . . 0.0 110.741 174.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -71.8 -38.92 70.19 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.861 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -75.92 -14.63 60.26 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -177.057 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.0 t -69.98 -49.05 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 170.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.553 ' HA ' HG21 ' A' ' 35' ' ' VAL . 53.5 m-85 -77.12 -34.77 56.69 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.277 -1.329 . . . . 0.0 111.968 -172.241 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -84.34 109.2 17.64 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 172.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.8 mmmp? -77.64 -27.04 50.91 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -176.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -103.86 -11.8 17.29 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -174.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.36 37.6 79.97 Favored Glycine 0 CA--C 1.531 1.034 0 CA-C-O 118.987 -0.896 . . . . 0.0 114.82 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -96.85 -18.64 19.41 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.809 1.305 . . . . 0.0 112.167 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.61 14.46 19.65 Favored Glycine 0 C--O 1.221 -0.684 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.283 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -142.3 130.06 21.61 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.546 0.738 . . . . 0.0 110.747 176.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 53.5 mt -97.42 114.63 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 175.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.4 p -90.61 178.49 6.07 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 178.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.42 ' O ' HG11 ' A' ' 48' ' ' VAL . . . -67.27 -27.5 67.25 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.388 177.059 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.42 -28.97 52.75 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 122.16 -0.338 . . . . 0.0 111.494 177.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.43 -44.33 25.05 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.552 HD23 HG13 ' A' ' 48' ' ' VAL . 38.2 tp -67.36 -35.64 79.77 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.346 0.404 . . . . 0.0 110.481 177.556 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.4 ttt-85 -59.47 -44.16 93.07 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.579 0.752 . . . . 0.0 111.59 177.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -65.88 -43.9 86.95 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 123.685 0.615 . . . . 0.0 111.394 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.553 HG21 ' HA ' ' A' ' 19' ' ' PHE . 37.0 t -79.76 -31.26 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 O-C-N 123.179 0.299 . . . . 0.0 111.571 -172.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.1 mmt -64.64 -44.01 91.85 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.688 0.28 . . . . 0.0 111.25 173.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' A' ' 42' ' ' LYS . 62.9 m -65.26 -32.29 73.88 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.153 175.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -69.55 -33.29 72.55 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.306 0.642 . . . . 0.0 111.678 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.8 mt -81.17 -12.4 59.21 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.57 -1.95 53.15 Favored Glycine 0 C--N 1.336 0.558 0 C-N-CA 121.335 -0.459 . . . . 0.0 112.879 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -82.25 -20.78 36.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 119.421 -0.323 . . . . 0.0 111.7 -178.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 37' ' ' THR . 54.8 pttt 38.71 69.66 0.25 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 126.385 1.874 . . . . 0.0 114.356 177.238 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.498 ' HG ' ' HB2' ' A' ' 47' ' ' GLU . 6.4 tp -85.29 124.78 32.31 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.491 -1.232 . . . . 0.0 109.04 -176.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.4 p -81.11 175.07 10.97 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.263 0.352 . . . . 0.0 110.915 -177.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -56.65 -38.82 72.68 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -173.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -75.27 -36.0 61.26 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 122.578 0.351 . . . . 0.0 111.15 -177.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.498 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 16.7 mm-40 -73.48 -37.64 65.69 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.787 -178.115 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.552 HG13 HD23 ' A' ' 32' ' ' LEU . 70.3 t -66.41 -39.49 84.2 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.51 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.614 176.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -56.48 -42.02 77.56 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 123.815 0.697 . . . . 0.0 112.235 178.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.425 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 40.8 mt-10 -77.04 -26.67 53.93 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.815 -178.083 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 97.8 mmm -76.68 -33.2 58.27 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 117.381 0.082 . . . . 0.0 111.048 173.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.7 mm -65.24 -48.1 84.79 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 O-C-N 123.775 0.672 . . . . 0.0 110.658 176.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.425 ' HG2' ' HA ' ' A' ' 50' ' ' GLU . 16.3 ptm180 -71.72 -23.05 61.56 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -176.525 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -78.85 -31.19 45.53 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.493 0.317 . . . . 0.0 111.402 175.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.52 -18.89 34.27 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.023 0.44 . . . . 0.0 111.591 177.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -90.82 119.47 31.06 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.738 0.78 . . . . 0.0 110.815 -173.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.4 mt -79.81 -45.37 23.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.307 -177.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 p30 -88.76 -11.48 44.89 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -168.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.99 53.91 10.14 Favored Glycine 0 CA--C 1.535 1.338 0 N-CA-C 114.813 0.685 . . . . 0.0 114.813 -178.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.3 p30 -112.9 -16.2 12.75 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 117.717 0.758 . . . . 0.0 112.009 175.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.48 2.28 67.95 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-O 119.698 -0.501 . . . . 0.0 113.961 -178.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -132.25 130.58 41.12 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 117.832 0.816 . . . . 0.0 109.156 174.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.4 t -96.61 105.46 17.12 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.252 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.427 -170.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.9 p30 -77.18 -171.1 1.92 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 121.112 -0.235 . . . . 0.0 111.283 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.515 ' CE1' ' HG2' ' A' ' 13' ' ' ARG . 62.1 t80 -60.6 -50.36 73.82 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.345 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.03 -25.22 61.72 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -175.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -75.32 -33.97 61.2 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.987 0.515 . . . . 0.0 110.763 177.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -74.45 -41.85 60.1 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.934 177.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.526 ' HA ' HG21 ' A' ' 12' ' ' ILE . 79.5 t -62.98 -41.74 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 O-C-N 123.674 0.608 . . . . 0.0 110.97 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -66.7 -33.81 76.46 Favored 'General case' 0 C--O 1.22 -0.498 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -71.73 -32.23 67.52 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 123.657 0.598 . . . . 0.0 110.992 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 76.6 mmm -75.94 -28.5 57.97 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 178.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 73.0 p -102.34 18.78 20.18 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.542 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.65 176.48 6.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.764 0.316 . . . . 0.0 111.457 -175.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.9 tttt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.594 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -78.81 -14.0 59.5 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 173.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.42 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 35.2 mt-10 -71.42 -33.62 69.58 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -175.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -70.48 -30.17 66.9 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 173.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.588 HG21 ' HA ' ' A' ' 69' ' ' VAL . 25.0 mm -79.36 -24.75 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.655 -179.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.42 ' HD2' ' HA ' ' A' ' 10' ' ' GLU . 98.8 mtt180 -67.99 -40.43 83.07 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.1 0.476 . . . . 0.0 110.679 173.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.486 ' HG3' HH21 ' A' ' 17' ' ' ARG . 39.8 tt0 -71.34 -37.33 71.71 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.884 176.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.31 84.86 Favored 'General case' 0 C--O 1.224 -0.28 0 O-C-N 123.116 0.26 . . . . 0.0 111.202 176.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -64.73 -36.1 83.21 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.436 0.694 . . . . 0.0 111.921 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.486 HH21 ' HG3' ' A' ' 14' ' ' GLU . 0.3 OUTLIER -80.16 -15.0 58.02 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -177.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 t -79.54 -49.97 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.716 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 170.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.549 ' HA ' HG21 ' A' ' 35' ' ' VAL . 31.9 m-85 -67.78 -26.23 66.0 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.204 -1.362 . . . . 0.0 112.354 -173.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -95.15 102.43 14.23 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.503 0.668 . . . . 0.0 109.309 168.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.11 -29.33 48.9 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 -179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -93.93 -12.08 29.57 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -173.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.22 38.68 58.85 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-O 119.223 -0.765 . . . . 0.0 114.897 177.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -101.58 -18.08 16.08 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.744 1.272 . . . . 0.0 112.043 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.19 14.2 42.9 Favored Glycine 0 C--O 1.223 -0.538 0 C-N-CA 121.091 -0.576 . . . . 0.0 113.015 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.564 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 74.8 m-85 -137.75 130.21 29.5 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.638 0.775 . . . . 0.0 109.402 176.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.0 mt -95.15 111.31 25.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.305 0.574 . . . . 0.0 109.587 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.8 m -90.56 174.87 7.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.256 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.08 -28.43 68.18 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.28 -31.43 69.93 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.9 0.381 . . . . 0.0 111.667 177.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -83.74 -43.62 15.29 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.557 -175.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.4 tp -63.89 -39.0 93.17 Favored 'General case' 0 C--O 1.223 -0.325 0 O-C-N 123.652 0.595 . . . . 0.0 110.64 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -61.57 -45.52 93.78 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 123.71 0.804 . . . . 0.0 111.23 176.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -65.42 -42.96 91.96 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 124.068 0.855 . . . . 0.0 111.14 -176.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.549 HG21 ' HA ' ' A' ' 19' ' ' PHE . 57.9 t -75.13 -29.54 21.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 O-C-N 123.388 0.43 . . . . 0.0 111.481 -176.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.8 mmt -64.94 -38.45 91.0 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 117.691 0.223 . . . . 0.0 110.983 172.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.8 m -69.17 -30.71 68.98 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 123.624 0.578 . . . . 0.0 110.602 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -73.91 -18.48 60.9 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.764 174.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 87.2 mt -88.67 -14.47 37.28 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 120.816 0.341 . . . . 0.0 110.654 175.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.59 -0.5 24.77 Favored Glycine 0 C--N 1.338 0.671 0 CA-C-N 116.136 -0.484 . . . . 0.0 113.468 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -113.5 133.07 55.43 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-O 121.428 0.632 . . . . 0.0 109.936 -174.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -103.94 105.03 15.09 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -175.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.421 ' HG ' ' HB2' ' A' ' 47' ' ' GLU . 3.3 tp -106.29 132.57 52.18 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.667 -174.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.0 p -81.44 175.86 10.19 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.715 -176.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -55.8 -45.19 78.32 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.296 1.038 . . . . 0.0 112.043 -176.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.492 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 8.7 mp0 -70.22 -39.02 75.34 Favored 'General case' 0 C--O 1.223 -0.342 0 O-C-N 123.976 0.798 . . . . 0.0 111.586 -177.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.421 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 50.9 mt-10 -71.58 -37.32 71.03 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.382 0.426 . . . . 0.0 112.072 -176.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.3 t -71.62 -35.77 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.51 -36.46 84.28 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 123.445 0.466 . . . . 0.0 110.987 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 24.0 mm-40 -61.82 -38.72 89.21 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.631 0.582 . . . . 0.0 111.415 173.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 57.2 mtp -77.51 -29.89 52.71 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.152 0.426 . . . . 0.0 112.152 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.3 mm -69.23 -45.66 78.95 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -72.79 -21.75 60.94 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 120.764 0.316 . . . . 0.0 111.455 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.424 ' HG2' ' CE1' ' A' ' 71' ' ' HIS . 28.3 tt0 -74.38 -40.27 62.17 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.889 0.876 . . . . 0.0 110.809 175.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.95 -29.7 21.86 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -174.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -82.2 118.53 23.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.178 0.513 . . . . 0.0 110.481 -174.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.469 HD11 ' HB2' ' A' ' 70' ' ' GLN . 90.5 mt -78.3 -40.3 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.307 -174.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.3 p30 -90.89 -12.24 36.74 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -172.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.73 45.02 55.18 Favored Glycine 0 CA--C 1.539 1.56 0 N-CA-C 114.742 0.657 . . . . 0.0 114.742 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.7 p30 -102.05 -15.13 16.86 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 117.734 0.767 . . . . 0.0 111.156 175.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.45 -6.99 59.55 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-N 116.244 -0.435 . . . . 0.0 113.854 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.564 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 27.6 mt-30 -131.96 131.31 42.51 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-O 121.894 0.854 . . . . 0.0 110.471 178.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.92 101.44 12.11 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.281 -167.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -85.49 -169.85 2.84 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.89 176.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -57.22 -57.41 12.71 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -164.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.74 -34.7 76.28 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -177.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.426 ' HA ' HD12 ' A' ' 57' ' ' ILE . 44.7 mt-10 -69.08 -36.92 78.14 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 123.787 0.835 . . . . 0.0 111.17 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -74.03 -39.59 63.45 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.551 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.588 ' HA ' HG21 ' A' ' 12' ' ' ILE . 74.1 t -66.58 -49.21 76.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-O 119.094 -0.479 . . . . 0.0 111.758 -176.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.469 ' HB2' HD11 ' A' ' 57' ' ' ILE . 78.8 mm-40 -61.34 -36.09 79.22 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.677 0.611 . . . . 0.0 111.847 -177.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.424 ' CE1' ' HG2' ' A' ' 54' ' ' GLU . 61.4 t60 -74.83 -43.15 56.12 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 123.696 0.623 . . . . 0.0 111.22 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 53.4 mmm -67.29 -42.47 83.72 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -176.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 47.5 p . . . . . 0 CA--C 1.536 0.433 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -173.658 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.458 ' O ' HG12 ' A' ' 12' ' ' ILE . 10.8 p . . . . . 0 N--CA 1.443 -0.806 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -78.2 -25.04 46.92 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.384 0.674 . . . . 0.0 110.656 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -71.98 -26.14 62.13 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.136 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -82.95 -23.18 33.55 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.18 176.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.552 HG21 ' HA ' ' A' ' 69' ' ' VAL . 16.9 mm -73.55 -22.71 19.06 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.642 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -60.82 -41.72 96.29 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.811 0.444 . . . . 0.0 111.345 171.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -66.23 -41.29 90.25 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.034 0.934 . . . . 0.0 111.121 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.55 -32.46 68.15 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.413 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -71.46 -41.21 69.7 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 122.965 0.506 . . . . 0.0 111.153 -177.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -74.38 -24.87 59.2 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 123.318 0.386 . . . . 0.0 111.914 -175.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 p -88.22 -20.13 7.48 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 CA-C-O 120.668 0.27 . . . . 0.0 110.726 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -86.4 -35.02 19.99 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.48 176.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -80.36 106.43 12.36 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 173.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 69.5 mmtt -78.25 -28.45 47.75 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -177.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -96.81 -11.41 24.93 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -174.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.96 46.54 72.51 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 114.778 0.671 . . . . 0.0 114.778 177.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 -103.29 -11.84 17.67 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.327 1.064 . . . . 0.0 111.645 177.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.0 23.26 25.65 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 121.407 -0.425 . . . . 0.0 112.349 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.57 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 65.1 m-85 -148.72 130.51 15.11 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 124.119 0.968 . . . . 0.0 109.56 -177.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.2 mt -101.09 103.2 14.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 173.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.419 ' HB3' ' HG2' ' A' ' 62' ' ' GLN . 73.9 p -81.86 177.46 8.86 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 120.802 0.334 . . . . 0.0 110.711 178.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.532 ' HA ' HG13 ' A' ' 52' ' ' ILE . . . -70.34 -27.44 64.36 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.695 179.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.89 -29.88 63.51 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 120.629 0.252 . . . . 0.0 111.193 176.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -75.57 -45.57 37.04 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.895 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.1 tp -67.51 -32.8 73.86 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 123.377 0.423 . . . . 0.0 110.801 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.51 ' HA ' HG21 ' A' ' 48' ' ' VAL . 68.1 ttt180 -66.22 -36.12 82.21 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.029 0.532 . . . . 0.0 110.612 176.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -72.03 -39.18 69.33 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.572 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 99.6 t -68.38 -36.48 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 122.519 0.327 . . . . 0.0 111.016 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.4 mmt -68.82 -41.1 79.07 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 53.8 m -66.05 -36.76 84.09 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 120.937 0.399 . . . . 0.0 110.516 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -63.86 -44.52 92.85 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.225 1.01 . . . . 0.0 111.984 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -76.71 -4.12 41.63 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.333 0.653 . . . . 0.0 112.582 -176.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.27 -3.36 72.49 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.413 -0.422 . . . . 0.0 112.896 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -71.64 -37.9 70.79 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.097 0.559 . . . . 0.0 110.918 -174.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mttm 58.67 42.14 20.87 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 124.551 1.157 . . . . 0.0 111.516 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.4 tp -69.25 132.33 46.3 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.053 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.4 p -76.93 167.98 20.89 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.656 0.597 . . . . 0.0 111.655 -169.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.48 -36.67 74.1 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.49 0.716 . . . . 0.0 111.703 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 34.5 mt-10 -68.43 -48.56 64.28 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.036 178.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -67.91 -35.23 78.1 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.135 0.574 . . . . 0.0 112.299 -177.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.51 HG21 ' HA ' ' A' ' 33' ' ' ARG . 53.0 t -69.23 -39.77 79.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 122.762 0.425 . . . . 0.0 110.645 177.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -63.7 -34.71 78.47 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 123.438 0.461 . . . . 0.0 110.934 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 14.0 mm-40 -62.53 -41.11 98.65 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.638 0.586 . . . . 0.0 111.226 175.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 97.8 mmm -72.69 -33.83 66.76 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.361 0.413 . . . . 0.0 111.675 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.532 HG13 ' HA ' ' A' ' 29' ' ' ALA . 27.7 mm -68.34 -47.95 75.37 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.13 0 O-C-N 123.537 0.523 . . . . 0.0 110.774 177.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.1 ptt85 -70.95 -21.68 62.3 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -78.72 -33.76 46.49 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.034 0.934 . . . . 0.0 110.915 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.31 -28.66 22.13 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.671 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -83.91 124.58 31.15 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.568 -174.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 79.5 mt -80.2 -43.32 22.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 114.308 -1.315 . . . . 0.0 111.204 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -91.55 -11.43 37.33 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -170.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.52 48.91 33.83 Favored Glycine 0 CA--C 1.535 1.306 0 N-CA-C 114.559 0.584 . . . . 0.0 114.559 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.9 p30 -105.73 -16.01 14.8 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 117.747 0.774 . . . . 0.0 112.406 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.86 -7.8 57.57 Favored Glycine 0 CA--C 1.524 0.628 0 C-N-CA 121.018 -0.61 . . . . 0.0 113.928 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.57 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 32.2 mt-30 -131.22 131.29 43.84 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-O 122.169 0.985 . . . . 0.0 111.06 175.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.2 t -101.6 101.57 12.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 CA-C-N 113.619 -1.628 . . . . 0.0 108.638 -172.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -83.62 -172.0 3.9 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 119.083 -0.484 . . . . 0.0 111.132 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.402 ' O ' HG23 ' A' ' 69' ' ' VAL . 67.7 t80 -55.43 -58.62 6.98 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -165.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.496 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 1.6 pm0 -58.98 -40.96 86.38 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.808 0.843 . . . . 0.0 112.645 -178.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.84 -39.0 90.37 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.849 0.86 . . . . 0.0 111.777 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -73.57 -34.12 64.98 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.488 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.552 ' HA ' HG21 ' A' ' 12' ' ' ILE . 69.9 t -65.36 -43.98 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-O 119.212 -0.423 . . . . 0.0 110.641 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 82.1 mm-40 -61.99 -39.47 92.33 Favored 'General case' 0 C--O 1.22 -0.47 0 O-C-N 123.635 0.584 . . . . 0.0 111.908 -174.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -81.06 -31.18 34.57 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 123.211 0.32 . . . . 0.0 111.395 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 51.5 mmm -82.51 -7.91 59.63 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.0 p . . . . . 0 CA--C 1.535 0.394 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 179.045 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.464 ' O ' HG12 ' A' ' 12' ' ' ILE . 50.6 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.144 0.497 . . . . 0.0 112.125 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 1.8 mp0 -71.24 -24.13 62.13 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 114.54 -1.209 . . . . 0.0 111.723 -173.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -65.34 -37.43 87.05 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.493 0.717 . . . . 0.0 111.38 174.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -70.75 -35.28 72.58 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.56 HG21 ' HA ' ' A' ' 69' ' ' VAL . 27.1 mm -68.65 -27.92 38.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.895 -178.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 95.9 mtt180 -68.39 -37.98 80.88 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.733 0.413 . . . . 0.0 111.251 173.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -70.63 -36.69 73.59 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.636 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.32 -42.36 83.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.799 174.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -60.53 -36.87 79.45 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.936 0.894 . . . . 0.0 112.421 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.68 -16.02 58.78 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -175.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -79.67 -44.09 23.26 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 171.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.511 ' HA ' HG21 ' A' ' 35' ' ' VAL . 41.7 m-85 -72.13 -31.25 65.83 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 114.561 -1.199 . . . . 0.0 112.423 -171.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -92.26 109.29 20.67 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 169.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.614 ' HE2' HG22 ' A' ' 35' ' ' VAL . 55.3 mttm -78.22 -27.0 47.63 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -99.22 -11.63 21.14 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -175.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.6 37.16 84.67 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-O 119.324 -0.709 . . . . 0.0 114.802 176.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -95.42 -18.9 20.33 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.407 1.103 . . . . 0.0 111.525 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.443 ' O ' ' HA ' ' A' ' 64' ' ' ASN . . . 105.17 6.59 39.15 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.856 -0.688 . . . . 0.0 113.042 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.442 ' CE1' ' HB3' ' A' ' 64' ' ' ASN . 73.2 m-85 -136.74 130.6 32.24 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 122.809 0.443 . . . . 0.0 110.326 177.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.4 mt -101.81 104.01 15.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.7 m -79.89 177.31 9.0 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.073 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.95 -25.8 62.89 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -176.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.81 -30.64 35.84 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 122.197 -0.314 . . . . 0.0 111.225 174.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 35' ' ' VAL . 41.6 mt-10 -71.0 -51.15 27.15 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 122.628 0.371 . . . . 0.0 111.532 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.508 HD23 HG13 ' A' ' 48' ' ' VAL . 30.2 tp -62.51 -37.09 84.7 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 124.199 0.937 . . . . 0.0 110.544 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.496 ' HA ' HG21 ' A' ' 48' ' ' VAL . 18.1 ttp85 -61.16 -43.18 99.28 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 124.01 0.819 . . . . 0.0 112.418 176.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.465 ' CD2' ' HE3' ' A' ' 21' ' ' LYS . 2.7 t60 -67.84 -39.8 83.79 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 124.075 0.859 . . . . 0.0 109.94 -175.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.614 HG22 ' HE2' ' A' ' 21' ' ' LYS . 21.6 t -75.07 -33.03 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 O-C-N 123.555 0.534 . . . . 0.0 111.262 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.421 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 21.1 mmt -61.51 -38.6 87.94 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 120.796 0.331 . . . . 0.0 111.091 174.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.406 HG23 ' HG2' ' A' ' 42' ' ' LYS . 90.2 m -65.18 -36.57 84.63 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.453 174.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -72.26 -28.54 63.2 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.041 0.537 . . . . 0.0 111.911 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 61.1 mt -79.36 -6.97 57.97 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.153 0.581 . . . . 0.0 111.435 177.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.56 -2.49 80.56 Favored Glycine 0 C--N 1.336 0.567 0 CA-C-N 116.329 -0.396 . . . . 0.0 112.993 177.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -79.97 -39.49 30.02 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 122.214 0.205 . . . . 0.0 110.736 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.406 ' HG2' HG23 ' A' ' 37' ' ' THR . 96.0 mttt 56.94 64.81 1.54 Allowed 'General case' 0 N--CA 1.472 0.651 0 O-C-N 124.928 1.393 . . . . 0.0 112.631 172.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.457 ' HB3' HG23 ' A' ' 48' ' ' VAL . 3.9 mp -80.75 138.43 36.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.765 176.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.4 p -75.33 168.86 19.19 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 123.352 0.407 . . . . 0.0 110.127 177.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -61.5 -34.72 75.97 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -173.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -74.8 -35.32 62.48 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -68.81 -39.98 79.78 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.91 0.386 . . . . 0.0 111.218 176.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.508 HG13 HD23 ' A' ' 32' ' ' LEU . 89.2 t -67.54 -34.93 71.37 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.39 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.376 176.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -66.66 -28.51 68.52 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 122.489 0.316 . . . . 0.0 111.32 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.66 -39.04 80.83 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.021 0.529 . . . . 0.0 110.925 172.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 98.2 mmm -72.67 -29.65 63.6 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.752 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 48' ' ' VAL . 28.7 mm -67.96 -50.6 57.78 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 C-N-CA 123.509 0.724 . . . . 0.0 110.729 176.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -69.56 -21.53 63.62 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.35 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.55 -39.89 44.33 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 120.979 0.419 . . . . 0.0 110.444 175.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.14 -28.84 31.96 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.07 121.88 26.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.331 0.586 . . . . 0.0 111.548 -172.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.481 HD11 ' HG3' ' A' ' 70' ' ' GLN . 83.9 mt -79.79 -47.75 21.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.718 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -89.98 -11.7 40.87 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -167.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.58 54.72 9.65 Favored Glycine 0 CA--C 1.534 1.245 0 N-CA-C 114.596 0.599 . . . . 0.0 114.596 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.3 p30 -111.48 -15.33 13.56 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 117.227 0.513 . . . . 0.0 111.533 173.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.03 6.42 69.37 Favored Glycine 0 CA--C 1.528 0.867 0 CA-C-N 116.026 -0.534 . . . . 0.0 113.585 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.418 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 3.6 mt-30 -134.36 130.66 37.24 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 176.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.7 t -97.69 110.06 24.71 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.16 -169.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.443 ' HA ' ' O ' ' A' ' 25' ' ' GLY . 28.4 p30 -78.79 -170.68 2.24 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.733 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -60.65 -53.08 61.75 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 8.1 pt-20 -70.93 -30.95 67.41 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -175.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -66.62 -36.6 82.97 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.133 0.573 . . . . 0.0 110.967 176.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -72.12 -39.63 68.72 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.703 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.56 ' HA ' HG21 ' A' ' 12' ' ' ILE . 71.1 t -63.95 -41.27 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 123.579 0.55 . . . . 0.0 111.072 -178.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.481 ' HG3' HD11 ' A' ' 57' ' ' ILE . 86.2 mm-40 -62.61 -38.83 91.73 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -74.95 -33.57 61.95 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 120.665 0.269 . . . . 0.0 111.228 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.518 ' HB3' HD12 ' A' ' 12' ' ' ILE . 78.4 mmm -84.54 -13.07 52.88 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -174.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.5 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.506 0.193 . . . . 0.0 111.345 176.761 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.518 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 15.5 pt-20 -69.56 -21.68 63.61 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 123.418 0.449 . . . . 0.0 110.941 174.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -58.12 -42.02 84.89 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 124.399 1.08 . . . . 0.0 111.76 175.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -65.93 -28.95 69.3 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.569 0.748 . . . . 0.0 112.022 177.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.601 HG21 ' HA ' ' A' ' 69' ' ' VAL . 17.1 mm -85.14 -22.56 7.51 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.607 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.876 -174.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 18.9 mtp180 -65.4 -39.61 92.41 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.902 0.481 . . . . 0.0 111.258 178.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -79.97 -25.22 40.45 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.068 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.413 ' O ' ' HD2' ' A' ' 19' ' ' PHE . . . -78.81 -30.03 45.14 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 122.165 -0.334 . . . . 0.0 111.043 176.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -65.94 -37.29 85.65 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.792 0.837 . . . . 0.0 111.718 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -76.89 -15.62 59.64 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 -175.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -84.67 -32.82 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 176.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.413 ' HD2' ' O ' ' A' ' 15' ' ' ALA . 37.3 m-85 -82.1 -27.64 32.73 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.513 -177.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -84.66 110.01 18.43 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 170.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.503 ' HE2' ' HA ' ' A' ' 21' ' ' LYS . 5.0 mmpt? -73.82 -24.07 59.75 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -176.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -113.16 -11.76 13.24 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -172.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.25 46.12 58.66 Favored Glycine 0 CA--C 1.533 1.212 0 CA-C-O 119.415 -0.658 . . . . 0.0 114.499 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 -102.9 -13.32 16.99 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 118.318 1.059 . . . . 0.0 112.011 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.63 19.55 26.99 Favored Glycine 0 C--O 1.223 -0.541 0 C-N-CA 121.157 -0.544 . . . . 0.0 112.378 -178.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.438 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 72.3 m-85 -144.7 130.1 18.81 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 123.653 0.781 . . . . 0.0 109.962 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.9 mt -102.34 104.22 16.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 175.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.2 p -85.31 177.28 7.88 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.875 0.369 . . . . 0.0 110.596 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 33' ' ' ARG . . . -72.54 -21.69 61.13 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.865 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.34 -33.9 48.84 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 120.592 0.234 . . . . 0.0 110.598 175.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -73.59 -48.55 31.94 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.126 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.527 HD23 HG13 ' A' ' 48' ' ' VAL . 33.4 tp -66.19 -31.44 72.28 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.796 0.685 . . . . 0.0 110.94 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.42 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 7.7 ttp180 -63.91 -44.47 92.85 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.607 0.567 . . . . 0.0 110.559 175.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -69.71 -36.59 76.03 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.244 -176.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.425 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 95.6 t -67.13 -43.99 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 123.428 0.455 . . . . 0.0 110.999 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.531 ' HG3' HD22 ' A' ' 43' ' ' LEU . 25.3 mmt -69.54 -34.07 73.69 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.43 HG23 ' HG2' ' A' ' 42' ' ' LYS . 61.8 m -71.62 -33.92 69.38 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.96 176.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -64.65 -35.91 82.56 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.488 0.715 . . . . 0.0 111.205 173.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 82.3 mt -74.91 -6.5 49.52 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.826 177.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.14 1.23 82.11 Favored Glycine 0 C--N 1.34 0.765 0 CA-C-N 116.587 -0.279 . . . . 0.0 112.982 175.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -83.92 -36.63 23.17 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.43 ' HG2' HG23 ' A' ' 37' ' ' THR . 1.2 tmtp? 61.38 84.87 0.13 Allowed 'General case' 0 C--N 1.343 0.303 0 O-C-N 125.389 1.681 . . . . 0.0 109.975 177.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.531 HD22 ' HG3' ' A' ' 36' ' ' MET . 1.2 tp -87.36 129.13 35.14 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 174.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.8 p -78.53 170.73 16.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 123.378 0.424 . . . . 0.0 110.688 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.95 -31.09 70.65 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -75.08 -44.99 44.31 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.168 0.587 . . . . 0.0 111.424 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.438 ' HB3' ' HG ' ' A' ' 43' ' ' LEU . 11.8 mm-40 -62.55 -37.29 85.57 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.496 0.719 . . . . 0.0 112.077 177.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.527 HG13 HD23 ' A' ' 32' ' ' LEU . 85.9 t -70.87 -39.51 75.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.51 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.821 177.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -62.12 -38.1 87.65 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 122.795 0.438 . . . . 0.0 111.962 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -67.93 -25.89 65.69 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.047 0.539 . . . . 0.0 112.28 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 96.8 mmm -82.29 -40.12 21.96 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 122.467 0.307 . . . . 0.0 111.189 174.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 24.5 mm -64.31 -43.83 97.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 O-C-N 124.068 0.855 . . . . 0.0 111.325 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.501 ' HG3' ' HG3' ' A' ' 54' ' ' GLU . 25.0 ptt180 -63.46 -31.64 72.86 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 123.423 0.452 . . . . 0.0 112.106 -178.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.501 ' HG3' ' HG3' ' A' ' 53' ' ' ARG . 44.3 mt-10 -94.06 -13.9 26.38 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.007 0.523 . . . . 0.0 111.931 -175.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.92 -29.3 16.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.691 0.281 . . . . 0.0 110.485 174.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.76 114.85 22.36 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.709 -178.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.3 mt -80.2 -48.37 20.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 114.489 -1.232 . . . . 0.0 110.497 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -82.06 -11.94 58.53 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -168.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.92 47.61 38.01 Favored Glycine 0 CA--C 1.532 1.14 0 N-CA-C 115.23 0.852 . . . . 0.0 115.23 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.8 p30 -104.82 -16.4 14.92 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 118.31 1.055 . . . . 0.0 110.943 172.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.07 -6.59 62.0 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 114.516 0.566 . . . . 0.0 114.516 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.438 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 36.1 mt-30 -129.26 131.45 47.01 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-O 121.919 0.866 . . . . 0.0 110.085 177.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 44.7 t -89.73 102.47 13.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 CA-C-N 114.528 -1.214 . . . . 0.0 110.745 -168.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.74 -175.33 5.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.664 177.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.415 ' O ' HG23 ' A' ' 69' ' ' VAL . 62.4 t80 -57.77 -55.63 32.37 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -166.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -59.75 -33.55 71.82 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.792 0.837 . . . . 0.0 112.604 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -71.44 -38.5 71.34 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 123.785 0.834 . . . . 0.0 111.615 -178.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -72.96 -36.38 67.12 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.533 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.601 ' HA ' HG21 ' A' ' 12' ' ' ILE . 92.3 t -63.93 -44.07 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 122.649 0.38 . . . . 0.0 111.119 178.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -64.16 -32.75 74.44 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -80.39 -31.55 37.72 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 120.719 0.295 . . . . 0.0 111.043 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 69.1 mmm -82.59 -24.88 33.71 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -176.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.2 p . . . . . 0 C--N 1.327 -0.412 0 N-CA-C 111.456 0.169 . . . . 0.0 111.456 179.939 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.449 -0.523 0 CA-C-O 120.794 0.331 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.476 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 25.9 mt-10 -69.32 -16.29 63.51 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.042 0.937 . . . . 0.0 111.674 -177.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -65.96 -36.99 84.84 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.566 0.746 . . . . 0.0 112.119 175.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -69.17 -34.09 74.41 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.119 0.568 . . . . 0.0 110.325 175.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.618 HG21 ' HA ' ' A' ' 69' ' ' VAL . 14.2 mm -74.77 -22.66 17.38 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 CA-C-N 114.843 -1.071 . . . . 0.0 111.016 -176.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 81.4 mtp180 -63.77 -40.94 97.92 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.85 0.46 . . . . 0.0 111.318 173.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -81.47 -25.98 35.61 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.896 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.65 -24.01 60.99 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.848 0.356 . . . . 0.0 110.823 174.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -70.7 -25.16 62.83 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.59 175.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -78.22 -24.69 46.9 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.243 -177.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -79.25 -38.29 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-O 121.146 0.498 . . . . 0.0 109.768 177.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -83.96 -30.61 26.1 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.478 -174.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -86.88 109.94 19.65 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 174.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -77.52 -28.54 52.05 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -178.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -102.13 -11.92 18.46 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -175.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.97 42.61 84.92 Favored Glycine 0 CA--C 1.535 1.294 0 N-CA-C 114.925 0.73 . . . . 0.0 114.925 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -104.01 -13.77 16.19 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 118.438 1.119 . . . . 0.0 113.051 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.71 18.07 24.09 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.274 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -144.05 130.69 20.13 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 123.75 0.82 . . . . 0.0 109.945 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.9 mt -102.74 104.1 16.04 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 172.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.6 m -80.39 173.86 12.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.078 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.0 -37.06 81.01 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.627 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.47 -29.59 69.74 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -75.55 -49.91 17.22 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 122.648 0.379 . . . . 0.0 111.628 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.415 ' O ' ' HG2' ' A' ' 36' ' ' MET . 23.9 tp -64.41 -37.14 86.48 Favored 'General case' 0 C--O 1.221 -0.44 0 O-C-N 123.919 0.762 . . . . 0.0 110.646 -178.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.7 ttp85 -62.61 -44.25 96.78 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.876 0.735 . . . . 0.0 111.02 177.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -63.44 -41.82 98.67 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 124.596 1.185 . . . . 0.0 109.952 -177.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.33 -46.28 87.46 Favored 'Isoleucine or valine' 0 C--N 1.346 0.414 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.081 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.415 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 24.2 mmt -61.1 -39.53 90.33 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -178.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.575 ' HA ' ' HA ' ' A' ' 42' ' ' LYS . 29.1 m -70.24 -30.85 68.02 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 122.894 0.478 . . . . 0.0 111.486 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.42 -28.32 52.58 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 176.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.2 mt -73.87 -17.58 61.03 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.165 0.586 . . . . 0.0 111.407 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.81 -2.74 58.58 Favored Glycine 0 CA--C 1.505 -0.58 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.567 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -72.9 -36.1 67.22 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.575 ' HA ' ' HA ' ' A' ' 37' ' ' THR . 44.8 tttp 54.21 68.51 0.84 Allowed 'General case' 0 C--N 1.352 0.685 0 O-C-N 125.266 1.604 . . . . 0.0 110.634 174.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.471 HD23 HG22 ' A' ' 48' ' ' VAL . 10.7 tp -93.06 130.08 38.79 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 114.998 -1.001 . . . . 0.0 108.72 -175.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.89 163.21 23.55 Favored 'General case' 0 C--O 1.222 -0.371 0 O-C-N 123.492 0.495 . . . . 0.0 110.128 -173.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -50.75 -41.56 56.74 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.136 1.374 . . . . 0.0 114.406 -174.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 44.2 mt-10 -77.25 -29.24 53.92 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -79.47 -30.25 42.03 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.471 0.308 . . . . 0.0 111.296 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.471 HG22 HD23 ' A' ' 43' ' ' LEU . 66.3 t -75.27 -31.41 24.2 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.591 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 173.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -57.5 -40.14 78.02 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.271 0.628 . . . . 0.0 111.126 173.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 59.4 mt-10 -72.76 -38.47 67.34 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.362 176.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.7 mmm -69.24 -26.52 64.83 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.1 mm -69.43 -52.12 35.78 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.099 0 O-C-N 123.793 0.683 . . . . 0.0 110.772 173.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.86 -25.14 55.92 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -173.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.86 -8.78 59.49 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 121.143 0.496 . . . . 0.0 111.111 173.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.72 -15.05 14.85 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.302 0.641 . . . . 0.0 111.382 174.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -99.41 121.73 41.54 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.485 0.66 . . . . 0.0 110.021 -171.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.3 mt -79.49 -42.77 23.25 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.155 -175.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -92.49 -11.71 33.91 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -171.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.32 58.56 7.09 Favored Glycine 0 CA--C 1.535 1.339 0 N-CA-C 114.888 0.715 . . . . 0.0 114.888 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.4 p30 -114.74 -16.47 11.78 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 117.976 0.888 . . . . 0.0 112.625 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.08 -8.07 60.76 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 121.136 -0.554 . . . . 0.0 114.214 -176.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -130.44 131.95 45.47 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 122.224 1.012 . . . . 0.0 110.587 175.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 65.1 t -92.82 109.67 21.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 CA-C-N 114.055 -1.43 . . . . 0.0 108.785 -171.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.52 -174.54 2.09 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.92 -178.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -64.74 -44.52 89.87 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.877 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -61.67 -36.67 81.53 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 122.964 0.505 . . . . 0.0 112.266 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -78.85 -27.12 44.12 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 123.221 0.608 . . . . 0.0 111.592 -177.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -71.4 -44.0 65.75 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.038 175.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.618 ' HA ' HG21 ' A' ' 12' ' ' ILE . 86.2 t -64.84 -43.76 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 O-C-N 123.787 0.68 . . . . 0.0 111.383 -177.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -67.35 -27.26 66.98 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.5 -20.06 25.61 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 120.968 0.413 . . . . 0.0 111.783 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 42.2 mmm -91.84 -19.33 22.64 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.179 -0.326 . . . . 0.0 111.625 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.5 p . . . . . 0 CA--C 1.536 0.413 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.696 176.528 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.8 p . . . . . 0 C--O 1.238 0.448 0 CA-C-O 120.625 0.25 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 15.7 pt-20 -69.6 -16.64 63.43 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.089 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -64.73 -38.16 90.04 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 123.394 0.678 . . . . 0.0 111.166 176.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -72.11 -30.92 65.55 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.522 176.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.625 HG21 ' HA ' ' A' ' 69' ' ' VAL . 24.6 mm -75.25 -23.93 17.31 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.048 -177.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 79.4 mtm180 -63.33 -41.56 98.91 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 122.503 0.321 . . . . 0.0 111.074 176.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -69.24 -41.74 76.56 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 123.804 0.69 . . . . 0.0 110.669 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.446 ' O ' ' HD1' ' A' ' 19' ' ' PHE . . . -64.4 -33.67 76.41 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 124.041 0.838 . . . . 0.0 111.696 178.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -63.52 -36.09 82.63 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.012 0.525 . . . . 0.0 111.45 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 55.8 mtm180 -77.96 -15.66 58.79 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -176.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -83.32 -37.82 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 173.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.446 ' HD1' ' O ' ' A' ' 15' ' ' ALA . 32.0 m-85 -77.86 -32.21 51.92 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.043 -0.98 . . . . 0.0 112.088 -174.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -89.27 107.25 18.95 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-O 121.405 0.622 . . . . 0.0 109.387 174.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 71.8 mmtt -78.39 -33.33 48.91 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -93.84 -11.85 30.27 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -171.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.14 30.98 60.12 Favored Glycine 0 CA--C 1.537 1.452 0 N-CA-C 115.25 0.86 . . . . 0.0 115.25 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -94.94 -15.58 23.49 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 118.776 1.288 . . . . 0.0 112.553 -178.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.34 16.37 40.62 Favored Glycine 0 CA--C 1.522 0.47 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.765 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.6 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 69.4 m-85 -142.78 130.3 21.26 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 123.41 0.684 . . . . 0.0 110.079 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.8 mt -95.68 113.12 29.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 176.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.7 p -91.49 176.72 6.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.29 177.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.0 -28.22 64.27 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 122.7 0.4 . . . . 0.0 111.916 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.54 -32.15 65.87 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.095 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -77.08 -41.55 41.77 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.629 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.517 HD23 HG13 ' A' ' 48' ' ' VAL . 38.2 tp -69.13 -34.53 75.18 Favored 'General case' 0 C--O 1.223 -0.341 0 O-C-N 124.051 0.844 . . . . 0.0 111.103 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -73.13 -37.87 66.48 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.2 t60 -62.23 -50.46 71.65 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.791 0.682 . . . . 0.0 110.82 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.478 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 9.4 p -73.73 -33.08 37.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 O-C-N 123.679 0.612 . . . . 0.0 112.048 -173.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.4 mmt -66.19 -39.54 89.75 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.368 0.531 . . . . 0.0 111.262 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.625 HG23 ' HG2' ' A' ' 42' ' ' LYS . 90.4 m -65.56 -35.92 82.26 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.061 176.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -71.19 -37.39 72.15 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 178.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 87.8 mt -69.81 -28.19 65.51 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.562 0.539 . . . . 0.0 111.818 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.18 3.3 17.53 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.344 178.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -80.52 -50.82 9.52 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 122.537 0.335 . . . . 0.0 110.172 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.625 ' HG2' HG23 ' A' ' 37' ' ' THR . 62.2 mttp 57.86 81.96 0.14 Allowed 'General case' 0 N--CA 1.471 0.588 0 O-C-N 125.224 1.578 . . . . 0.0 111.175 -176.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.434 ' HG ' ' HB2' ' A' ' 47' ' ' GLU . 8.4 tp -97.64 141.8 30.22 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.871 -1.059 . . . . 0.0 108.872 -175.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -77.84 170.42 16.63 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 110.467 -0.198 . . . . 0.0 110.467 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -67.39 -32.27 73.06 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 -177.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -69.54 -39.9 77.2 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.273 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 51' ' ' MET . 51.6 mt-10 -75.92 -35.87 59.6 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.981 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.517 HG13 HD23 ' A' ' 32' ' ' LEU . 45.3 t -66.52 -37.03 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 123.005 0.522 . . . . 0.0 110.481 176.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -57.64 -43.33 84.77 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 123.623 0.577 . . . . 0.0 111.34 173.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.96 -36.65 85.07 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.27 0.628 . . . . 0.0 112.273 178.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.436 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 88.9 mmm -77.95 -27.1 49.2 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-O 119.791 -0.147 . . . . 0.0 111.083 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.4 mm -72.52 -44.84 60.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.781 0 C-N-CA 122.955 0.502 . . . . 0.0 110.759 176.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -73.42 -21.93 60.35 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -83.16 -33.35 26.25 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 120.839 0.352 . . . . 0.0 110.162 176.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.47 -32.92 54.7 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.76 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -85.7 109.56 18.7 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 122.089 0.947 . . . . 0.0 110.955 -174.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.5 mt -79.65 -35.92 17.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 114.048 -1.433 . . . . 0.0 111.432 -175.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 p30 -93.38 -11.76 31.5 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -170.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.13 48.75 30.43 Favored Glycine 0 CA--C 1.535 1.316 0 N-CA-C 115.066 0.786 . . . . 0.0 115.066 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 p30 -107.39 -16.01 14.49 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 117.717 0.758 . . . . 0.0 110.837 172.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.9 -11.28 60.7 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-N 116.018 -0.537 . . . . 0.0 113.764 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.6 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 25.0 mt-30 -128.31 131.27 48.65 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.728 0.775 . . . . 0.0 110.793 -178.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.6 t -94.96 108.03 20.29 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.162 -166.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -82.1 -177.62 6.69 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.266 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.455 ' O ' HG23 ' A' ' 69' ' ' VAL . 55.4 t80 -50.23 -53.92 24.75 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -177.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -71.95 -27.79 63.02 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -174.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -70.63 -35.65 73.03 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.196 0.522 . . . . 0.0 110.612 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -73.39 -32.88 64.72 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.043 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.625 ' HA ' HG21 ' A' ' 12' ' ' ILE . 92.4 t -67.52 -38.65 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 122.338 0.255 . . . . 0.0 110.419 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -79.11 -20.2 49.26 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -75.14 -33.42 61.52 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 122.407 -0.183 . . . . 0.0 110.719 168.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.2 mmm -84.94 -50.4 7.53 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -173.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.6 t . . . . . 0 C--O 1.237 0.429 0 CA-C-O 119.064 -0.493 . . . . 0.0 112.023 -176.454 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.58 ' O ' HG12 ' A' ' 12' ' ' ILE . 17.9 m . . . . . 0 CA--C 1.52 -0.182 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 2.4 mp0 -57.0 -32.4 66.08 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.961 0.905 . . . . 0.0 112.699 -176.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -71.84 -31.85 66.94 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -177.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -84.51 -23.17 29.93 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.045 0.45 . . . . 0.0 110.227 177.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.58 HG12 ' O ' ' A' ' 8' ' ' SER . 44.0 mm -67.04 -26.86 37.7 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.07 173.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 74.0 mtt180 -61.9 -35.98 79.95 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.625 0.77 . . . . 0.0 112.558 176.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.65 -42.33 78.11 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 123.111 0.257 . . . . 0.0 110.737 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.65 -32.53 73.9 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.77 0.669 . . . . 0.0 111.534 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -64.32 -37.32 87.08 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.556 0.742 . . . . 0.0 111.564 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 49.0 mtm-85 -67.25 -31.72 72.25 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -178.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -73.12 -36.17 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-O 121.017 0.437 . . . . 0.0 110.027 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -81.54 -27.48 34.39 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.054 -0.975 . . . . 0.0 112.092 -174.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -90.73 109.73 20.91 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.493 ' HE2' ' HA ' ' A' ' 21' ' ' LYS . 7.1 mmpt? -75.27 -33.56 61.26 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.464 -0.789 . . . . 0.0 113.019 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -100.64 -11.08 20.3 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -169.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.55 45.27 68.16 Favored Glycine 0 CA--C 1.532 1.152 0 N-CA-C 114.543 0.577 . . . . 0.0 114.543 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -106.32 -9.3 16.85 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.239 1.019 . . . . 0.0 112.799 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.07 20.76 37.96 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 121.294 -0.479 . . . . 0.0 112.166 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.548 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 96.8 m-85 -143.41 130.53 20.72 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 123.577 0.751 . . . . 0.0 109.568 -178.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.1 mt -100.77 103.01 14.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 173.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.4 m -81.54 169.39 17.16 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.82 177.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.26 -28.61 65.37 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.86 -28.07 62.3 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.709 0.29 . . . . 0.0 111.471 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -74.88 -50.83 15.62 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.338 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.529 HD23 HG13 ' A' ' 48' ' ' VAL . 38.5 tp -65.31 -33.2 75.42 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.819 0.699 . . . . 0.0 111.253 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.506 ' HA ' HG21 ' A' ' 48' ' ' VAL . 69.2 ttt180 -62.68 -45.03 94.69 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.23 0.612 . . . . 0.0 111.325 176.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -70.24 -42.4 72.28 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 119.106 -0.474 . . . . 0.0 111.426 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.8 t -63.46 -46.61 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 123.633 0.583 . . . . 0.0 111.434 -177.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.7 mmt -64.85 -43.1 94.11 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 58.5 m -67.71 -31.08 70.78 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.406 177.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -73.54 -32.49 64.23 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.035 0.534 . . . . 0.0 111.509 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.4 mt -79.03 -19.85 50.42 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.559 178.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.52 8.66 40.05 Favored Glycine 0 C--N 1.333 0.414 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.748 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -87.51 -24.18 24.17 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 122.378 0.271 . . . . 0.0 110.663 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.497 ' HE3' ' HB2' ' A' ' 42' ' ' LYS . 26.4 mtmt 62.32 41.11 10.6 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 124.64 1.212 . . . . 0.0 112.771 166.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.449 ' HG ' ' CB ' ' A' ' 47' ' ' GLU . 2.6 tp -68.59 117.48 10.38 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.4 p -78.7 177.53 8.57 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.749 -175.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -61.53 -34.74 76.06 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 43.1 mm-40 -66.83 -45.43 78.27 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 123.35 0.406 . . . . 0.0 111.414 175.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.449 ' CB ' ' HG ' ' A' ' 43' ' ' LEU . 59.0 mm-40 -69.32 -40.02 77.86 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.783 0.677 . . . . 0.0 111.885 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.529 HG13 HD23 ' A' ' 32' ' ' LEU . 84.9 t -70.31 -39.41 76.62 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.181 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.801 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -63.04 -41.08 99.42 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.374 0.421 . . . . 0.0 111.2 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 61.4 mm-40 -62.37 -40.82 97.68 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.756 0.66 . . . . 0.0 111.69 176.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 91.0 mmm -72.05 -37.77 69.61 Favored 'General case' 0 C--O 1.225 -0.235 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.4 mm -69.92 -42.91 79.86 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.886 0 O-C-N 123.545 0.528 . . . . 0.0 110.724 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.6 ptt85 -73.32 -21.25 60.61 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -86.55 -28.3 23.43 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 120.729 0.299 . . . . 0.0 110.578 176.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.0 -29.32 27.07 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -82.49 107.84 15.45 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.089 -176.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.2 mt -77.92 -35.13 20.29 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 CA-C-N 113.999 -1.455 . . . . 0.0 110.961 -176.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -91.5 -11.83 36.33 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -174.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.44 56.52 9.85 Favored Glycine 0 CA--C 1.539 1.563 0 N-CA-C 115.138 0.815 . . . . 0.0 115.138 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.7 p30 -115.23 -16.1 11.56 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 117.672 0.736 . . . . 0.0 112.126 174.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.82 -10.1 60.44 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 121.11 -0.567 . . . . 0.0 114.165 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.548 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 9.5 mt-30 -128.26 131.05 48.76 Favored 'General case' 0 C--O 1.245 0.817 0 CA-C-O 122.075 0.94 . . . . 0.0 110.326 176.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.0 t -92.28 110.69 23.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 CA-C-N 114.055 -1.43 . . . . 0.0 109.033 -168.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.39 -174.82 1.75 Allowed 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.119 0.485 . . . . 0.0 109.783 -177.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -61.46 -49.31 77.3 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.162 174.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 7.5 pt-20 -58.95 -42.12 89.07 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 124.15 0.906 . . . . 0.0 112.615 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -72.04 -34.13 68.54 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 123.23 0.612 . . . . 0.0 112.099 -176.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -71.61 -40.31 69.89 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.495 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.559 ' HA ' HG21 ' A' ' 12' ' ' ILE . 94.9 t -67.67 -40.6 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 O-C-N 123.386 0.429 . . . . 0.0 111.21 -178.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 17.4 mm100 -68.31 -31.4 70.8 Favored 'General case' 0 C--O 1.225 -0.223 0 O-C-N 123.087 0.242 . . . . 0.0 111.332 -178.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -83.18 -23.98 32.66 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.524 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 64.4 mmm -85.17 -27.94 25.81 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.14 -0.35 . . . . 0.0 111.739 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.6 p . . . . . 0 C--N 1.329 -0.288 0 N-CA-C 111.525 0.195 . . . . 0.0 111.525 179.602 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.447 ' O ' HG12 ' A' ' 12' ' ' ILE . 4.1 t . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.402 ' HG2' ' H ' ' A' ' 9' ' ' GLU . 1.4 mm-40 -69.26 -26.78 64.94 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.279 0.632 . . . . 0.0 111.934 -170.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -68.64 -34.76 76.29 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.311 0.645 . . . . 0.0 112.077 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -70.46 -31.95 69.3 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.235 176.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.571 HG21 ' HA ' ' A' ' 69' ' ' VAL . 25.2 mm -78.33 -26.35 14.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.526 -178.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.552 ' O ' ' HD3' ' A' ' 17' ' ' ARG . 71.6 mtt180 -63.41 -48.45 77.78 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 178.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -75.22 -25.22 57.96 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 117.48 0.127 . . . . 0.0 110.897 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.9 -30.59 66.98 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.643 0.259 . . . . 0.0 111.327 174.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -68.67 -29.98 68.56 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.185 0.594 . . . . 0.0 110.558 174.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.552 ' HD3' ' O ' ' A' ' 13' ' ' ARG . 9.3 mpt_? -75.72 -18.14 59.68 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.257 0.623 . . . . 0.0 112.109 -176.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 t -78.55 -42.89 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 174.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.568 ' HA ' HG21 ' A' ' 35' ' ' VAL . 43.5 m-85 -80.32 -33.05 37.8 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 114.763 -1.108 . . . . 0.0 112.478 -170.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -90.57 100.61 13.43 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.452 0.644 . . . . 0.0 109.975 177.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.457 ' HE2' HG22 ' A' ' 35' ' ' VAL . 72.6 mmtt -77.69 -33.42 53.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.701 -1.136 . . . . 0.0 113.567 -175.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.4 p30 -87.3 -11.51 49.3 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -173.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.27 43.33 98.65 Favored Glycine 0 CA--C 1.536 1.402 0 N-CA-C 114.71 0.644 . . . . 0.0 114.71 -177.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -104.92 -18.08 14.32 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 117.753 0.776 . . . . 0.0 111.314 177.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.28 6.77 58.65 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 121.299 -0.477 . . . . 0.0 113.907 179.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.558 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 36.1 m-85 -135.17 129.04 33.17 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 117.339 0.569 . . . . 0.0 110.025 176.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.3 mt -97.73 114.25 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 120.954 0.406 . . . . 0.0 110.284 -174.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.0 p -91.51 178.43 5.95 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.858 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.68 -21.59 63.5 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.635 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.54 -42.82 74.1 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 122.716 0.406 . . . . 0.0 111.66 176.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 35' ' ' VAL . 40.9 mt-10 -75.24 -43.55 50.92 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.117 -175.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.7 tp -66.52 -34.82 78.76 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 123.652 0.595 . . . . 0.0 111.374 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -68.86 -39.45 79.89 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.572 177.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -65.12 -39.65 93.37 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 123.51 0.506 . . . . 0.0 111.283 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.568 HG21 ' HA ' ' A' ' 19' ' ' PHE . 88.0 t -64.41 -49.6 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 O-C-N 123.666 0.604 . . . . 0.0 110.923 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.3 mmt -63.47 -37.16 86.22 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -177.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.592 ' HA ' ' HA ' ' A' ' 42' ' ' LYS . 37.8 m -73.76 -32.32 63.75 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.293 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -70.94 -28.63 64.63 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 122.864 0.466 . . . . 0.0 111.228 176.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 90.2 mt -75.81 -7.16 53.78 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.296 179.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.35 -6.47 68.42 Favored Glycine 0 C--N 1.341 0.824 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -86.37 -25.13 25.5 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 122.65 0.38 . . . . 0.0 111.595 -173.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.592 ' HA ' ' HA ' ' A' ' 37' ' ' THR . 23.8 pttm 40.59 80.88 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 126.304 1.842 . . . . 0.0 114.006 -178.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 tp -82.32 135.83 35.13 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.7 160.62 32.32 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 123.749 0.656 . . . . 0.0 109.805 -177.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -63.55 -35.55 80.86 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.988 0.515 . . . . 0.0 111.858 -176.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 34.9 tt0 -62.26 -49.75 74.45 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.311 0.644 . . . . 0.0 111.303 173.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 51' ' ' MET . 49.0 mt-10 -60.41 -39.02 85.88 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 124.019 0.824 . . . . 0.0 112.38 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.0 t -69.21 -34.66 64.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 123.339 0.656 . . . . 0.0 111.296 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -67.36 -31.62 71.99 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.156 0.503 . . . . 0.0 111.128 176.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 37.2 mt-10 -74.8 -22.84 58.51 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.222 176.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.47 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 24.8 mmt -82.3 -37.43 25.82 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.452 174.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.8 mm -64.68 -44.3 96.6 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 O-C-N 123.627 0.58 . . . . 0.0 110.846 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -68.96 -21.69 64.16 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -178.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -88.17 -40.15 13.95 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.493 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.57 -22.06 30.2 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -174.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -86.17 126.92 34.59 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.147 0.499 . . . . 0.0 109.751 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.505 HG12 ' HG2' ' A' ' 67' ' ' GLU . 7.6 mm -78.95 -41.63 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.426 -172.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -99.22 -12.19 20.64 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -169.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.55 53.81 11.78 Favored Glycine 0 CA--C 1.539 1.533 0 N-CA-C 114.425 0.53 . . . . 0.0 114.425 -177.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.9 p30 -108.44 -15.08 14.53 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 117.29 0.545 . . . . 0.0 111.892 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.88 -15.83 43.98 Favored Glycine 0 CA--C 1.524 0.637 0 CA-C-O 119.929 -0.373 . . . . 0.0 113.626 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.558 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 26.8 mt-30 -132.97 137.42 46.55 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 123.362 1.553 . . . . 0.0 112.469 179.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.1 t -100.42 105.49 17.74 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 CA-C-N 112.552 -2.113 . . . . 0.0 109.583 -170.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.421 ' OD1' ' HG2' ' A' ' 66' ' ' GLU . 6.8 p30 -85.14 -174.29 5.17 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.85 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -50.23 -53.18 29.97 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -176.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.421 ' HG2' ' OD1' ' A' ' 64' ' ' ASN . 10.5 pt-20 -69.78 -32.18 70.52 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.505 ' HG2' HG12 ' A' ' 57' ' ' ILE . 47.0 mt-10 -69.47 -35.63 75.79 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.31 0.644 . . . . 0.0 111.622 177.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -72.5 -42.46 64.84 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.374 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.571 ' HA ' HG21 ' A' ' 12' ' ' ILE . 70.0 t -61.14 -43.46 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-O 119.003 -0.523 . . . . 0.0 111.239 178.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -57.4 -43.64 83.88 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.655 0.597 . . . . 0.0 112.382 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -69.62 -37.05 76.67 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 123.328 0.393 . . . . 0.0 111.776 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.43 ' HB3' HD12 ' A' ' 12' ' ' ILE . 82.3 mmm -78.37 -36.42 46.06 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -174.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 51.4 p . . . . . 0 CA--C 1.532 0.259 0 N-CA-C 111.507 0.188 . . . . 0.0 111.507 -179.078 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.2 p . . . . . 0 N--CA 1.45 -0.456 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.505 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 13.1 pt-20 -67.63 -20.91 65.39 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -174.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 43.8 mt-10 -78.91 -25.07 43.75 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.604 0.362 . . . . 0.0 111.766 -178.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -73.55 -32.22 64.06 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 170.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.571 HG21 ' HA ' ' A' ' 69' ' ' VAL . 23.0 mm -73.76 -25.92 21.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.669 178.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 69.1 mtt180 -66.12 -36.55 83.45 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.641 0.376 . . . . 0.0 110.685 174.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -77.38 -39.13 48.31 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.073 177.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.403 ' O ' ' HD1' ' A' ' 19' ' ' PHE . . . -65.1 -31.54 72.8 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.649 0.593 . . . . 0.0 111.336 178.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -65.14 -35.89 82.52 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 123.357 0.663 . . . . 0.0 111.238 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 39.0 mtm180 -76.19 -15.05 60.13 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -179.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -84.51 -42.36 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 172.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.599 ' HA ' HG21 ' A' ' 35' ' ' VAL . 35.8 m-85 -75.05 -34.85 61.9 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.888 -175.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -84.68 109.86 18.33 Favored 'General case' 0 C--O 1.228 -0.073 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 169.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.554 ' HE3' ' HA ' ' A' ' 31' ' ' GLU . 6.4 mtmp? -77.17 -26.63 53.15 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -176.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -104.68 -12.05 16.57 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -173.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.65 40.1 77.36 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-O 119.341 -0.699 . . . . 0.0 114.804 177.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -99.68 -14.13 19.04 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 118.424 1.112 . . . . 0.0 112.625 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.09 13.3 29.4 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.693 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -143.78 130.56 20.31 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 123.371 0.668 . . . . 0.0 110.58 -175.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.417 ' HB ' ' HB ' ' A' ' 63' ' ' VAL . 60.3 mt -103.14 106.2 19.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 175.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.0 m -83.19 177.25 8.64 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.245 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.34 -52.88 60.17 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 123.53 0.519 . . . . 0.0 111.837 175.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.17 -23.92 67.65 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -177.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.554 ' HA ' ' HE3' ' A' ' 21' ' ' LYS . 49.1 mt-10 -77.34 -51.63 10.52 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 122.289 0.236 . . . . 0.0 111.595 -179.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.4 tp -65.9 -33.68 76.39 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 123.713 0.633 . . . . 0.0 110.932 177.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.92 -51.45 63.72 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.878 1.271 . . . . 0.0 111.798 173.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -68.58 -37.02 79.5 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 123.754 0.659 . . . . 0.0 111.327 -175.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.599 HG21 ' HA ' ' A' ' 19' ' ' PHE . 58.8 t -67.25 -41.03 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 O-C-N 123.276 0.36 . . . . 0.0 111.231 -178.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.52 ' HG3' HD22 ' A' ' 43' ' ' LEU . 24.8 mmt -73.49 -25.32 60.4 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.014 0.435 . . . . 0.0 111.742 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 42' ' ' LYS . 67.2 m -74.51 -32.8 62.62 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.83 173.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -66.48 -34.34 77.71 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.313 0.645 . . . . 0.0 111.816 174.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -79.77 2.68 22.03 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.334 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.68 -15.54 58.39 Favored Glycine 0 C--N 1.339 0.708 0 CA-C-N 116.508 -0.314 . . . . 0.0 113.549 170.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -75.5 -33.77 60.78 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -172.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 37' ' ' THR . 43.7 mttp 59.12 77.17 0.32 Allowed 'General case' 0 N--CA 1.48 1.051 0 O-C-N 124.898 1.373 . . . . 0.0 110.88 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.52 HD22 ' HG3' ' A' ' 36' ' ' MET . 3.7 tp -79.22 122.13 25.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.525 -171.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.401 ' O ' HG23 ' A' ' 48' ' ' VAL . 57.1 p -79.91 175.98 10.14 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.182 -177.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -62.4 -38.82 91.14 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.908 0.483 . . . . 0.0 111.727 -173.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -67.18 -40.79 86.64 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.861 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -70.51 -42.89 70.69 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.376 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.428 HG22 HD23 ' A' ' 43' ' ' LEU . 97.7 t -65.41 -42.3 93.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 123.298 0.639 . . . . 0.0 111.657 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.17 -36.97 78.77 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 123.812 0.695 . . . . 0.0 111.534 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -75.51 -33.49 60.76 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.176 177.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.456 ' HG3' HD21 ' A' ' 43' ' ' LEU . 25.5 mmt -74.45 -29.73 61.59 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 122.46 0.304 . . . . 0.0 111.483 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.1 mm -65.74 -49.73 75.59 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.088 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.388 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.9 ptp85 -71.55 -21.69 61.86 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -76.25 -35.43 58.97 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.772 0.32 . . . . 0.0 110.608 176.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.71 -22.08 23.54 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -92.29 139.52 30.52 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 122.921 0.488 . . . . 0.0 110.147 -175.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.3 mt -79.91 -55.82 8.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.03 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -86.34 -12.04 50.45 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -167.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.04 50.46 22.9 Favored Glycine 0 CA--C 1.532 1.112 0 N-CA-C 114.559 0.584 . . . . 0.0 114.559 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.9 p30 -105.8 -16.07 14.77 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 117.689 0.745 . . . . 0.0 112.433 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.81 -13.16 50.04 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 120.997 -0.62 . . . . 0.0 113.925 -176.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -125.99 131.73 52.17 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 122.25 1.024 . . . . 0.0 110.845 176.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.417 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 22.6 t -102.84 106.86 20.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 CA-C-N 113.506 -1.679 . . . . 0.0 107.692 -170.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -77.11 -174.21 3.09 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 -176.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.46 ' O ' HG23 ' A' ' 69' ' ' VAL . 52.2 t80 -59.34 -53.58 56.57 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.731 177.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -61.08 -34.78 75.47 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.442 1.097 . . . . 0.0 112.174 -177.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -75.92 -33.53 59.87 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.237 -177.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -71.72 -44.39 64.22 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.702 176.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.571 ' HA ' HG21 ' A' ' 12' ' ' ILE . 58.1 t -62.21 -41.41 91.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 O-C-N 123.581 0.551 . . . . 0.0 111.289 -177.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.406 HE21 ' HA ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -64.83 -39.52 93.7 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-O 118.835 -0.602 . . . . 0.0 112.235 -179.089 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -69.07 -38.0 78.79 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.397 0.436 . . . . 0.0 111.067 177.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 77.5 mmm -71.23 -23.04 61.93 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.099 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.7 p . . . . . 0 C--N 1.33 -0.253 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.498 ' O ' HG12 ' A' ' 12' ' ' ILE . 79.5 p . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 120.675 0.274 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.79 -22.88 61.51 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.693 -175.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -77.34 -25.21 50.89 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.4 177.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -76.79 -25.15 53.02 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.773 171.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.544 HG21 ' HA ' ' A' ' 69' ' ' VAL . 34.1 mm -77.99 -22.21 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.339 176.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.463 ' HG2' ' CE1' ' A' ' 65' ' ' TYR . 99.8 mtt180 -62.8 -36.97 84.9 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.172 0.589 . . . . 0.0 112.06 175.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -71.37 -38.46 71.54 Favored 'General case' 0 C--O 1.223 -0.328 0 O-C-N 123.62 0.575 . . . . 0.0 109.728 178.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.62 -30.78 67.52 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.669 178.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -66.51 -39.07 88.48 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.666 0.786 . . . . 0.0 111.871 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -15.75 60.48 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -177.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.6 t -79.52 -44.22 23.56 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 173.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.517 ' HA ' HG21 ' A' ' 35' ' ' VAL . 28.7 m-85 -73.73 -26.34 60.63 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.839 -1.073 . . . . 0.0 112.031 -174.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -86.63 110.25 19.72 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 168.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -18.54 61.94 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.517 1.302 . . . . 0.0 114.517 -175.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.15 -10.68 11.46 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -176.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.0 43.69 90.56 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-O 119.551 -0.583 . . . . 0.0 114.2 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -102.05 -17.57 16.0 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.36 1.08 . . . . 0.0 112.25 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.69 2.45 37.21 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 120.947 -0.645 . . . . 0.0 113.448 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.5 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 67.9 m-85 -133.74 130.0 37.47 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 176.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.442 ' HB ' ' HB ' ' A' ' 63' ' ' VAL . 55.6 mt -104.66 114.19 43.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.0 m -95.31 177.66 5.77 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.453 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.59 -31.21 68.11 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 122.817 0.447 . . . . 0.0 111.827 -178.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.85 -33.32 74.54 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 122.769 0.428 . . . . 0.0 111.294 175.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 35' ' ' VAL . 50.3 mt-10 -74.23 -46.15 43.54 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.043 178.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.516 HD23 HG13 ' A' ' 48' ' ' VAL . 60.5 tp -66.18 -36.06 82.11 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.833 0.708 . . . . 0.0 111.593 -178.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -68.13 -35.27 77.84 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.297 0.373 . . . . 0.0 110.436 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -70.62 -37.35 73.81 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-O 119.297 -0.382 . . . . 0.0 110.571 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.517 HG21 ' HA ' ' A' ' 19' ' ' PHE . 90.5 t -63.97 -40.26 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.225 0.61 . . . . 0.0 110.843 175.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.4 mmt -60.36 -44.03 95.96 Favored 'General case' 0 C--O 1.222 -0.352 0 O-C-N 123.59 0.556 . . . . 0.0 111.058 175.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.2 m -70.11 -27.22 64.41 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.015 0.526 . . . . 0.0 111.809 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -68.35 -34.14 75.55 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.811 0.444 . . . . 0.0 111.153 174.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -85.76 1.93 47.61 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.491 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.38 19.32 55.27 Favored Glycine 0 C--N 1.339 0.716 0 C-N-CA 121.357 -0.449 . . . . 0.0 113.414 176.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -114.47 159.67 20.08 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -130.55 82.77 2.07 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.171 0.51 . . . . 0.0 110.532 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -78.03 130.77 36.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.29 174.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.0 p -78.11 172.93 12.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.529 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.03 -29.35 70.51 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -66.5 -45.56 79.19 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.768 0.667 . . . . 0.0 111.586 174.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -71.56 -40.91 69.67 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.734 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.516 HG13 HD23 ' A' ' 32' ' ' LEU . 95.1 t -68.89 -37.72 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 O-C-N 123.836 0.71 . . . . 0.0 110.936 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -60.69 -39.65 89.26 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 122.961 0.504 . . . . 0.0 112.114 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.548 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 53.4 mt-10 -74.71 -26.94 60.15 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.365 0.416 . . . . 0.0 111.781 -179.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.3 mmt -72.79 -39.82 66.39 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.31 0.381 . . . . 0.0 110.539 173.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.2 mm -65.95 -46.98 86.87 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.895 0 O-C-N 123.961 0.788 . . . . 0.0 110.932 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.548 ' HG2' ' HA ' ' A' ' 50' ' ' GLU . 28.4 ptt180 -71.14 -21.89 62.13 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -175.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -87.05 -30.27 21.29 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.933 0.397 . . . . 0.0 110.354 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.19 -21.32 31.31 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.676 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.33 114.79 26.93 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.685 0.755 . . . . 0.0 110.638 -177.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.3 mt -79.69 -41.48 21.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 114.284 -1.326 . . . . 0.0 110.87 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -91.69 -11.17 37.67 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.358 0.874 . . . . 0.0 113.358 -171.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.38 49.87 29.7 Favored Glycine 0 CA--C 1.534 1.279 0 N-CA-C 114.951 0.74 . . . . 0.0 114.951 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.2 p30 -108.55 -15.83 14.34 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-N 117.914 0.857 . . . . 0.0 111.968 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.18 -12.99 63.6 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 121.046 -0.597 . . . . 0.0 113.93 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.5 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 33.0 mt-30 -119.46 131.07 55.54 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 117.904 0.852 . . . . 0.0 109.691 177.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.442 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 53.5 t -96.33 109.23 22.49 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 CA-C-N 114.164 -1.38 . . . . 0.0 107.81 -171.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.73 -174.85 2.71 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.409 -177.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.463 ' CE1' ' HG2' ' A' ' 13' ' ' ARG . 43.8 t80 -62.08 -51.53 67.56 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.925 176.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 1.4 pm0 -61.81 -36.91 82.52 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.025 0.93 . . . . 0.0 112.749 -179.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -70.6 -37.36 73.86 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 123.734 0.647 . . . . 0.0 111.765 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -69.26 -38.4 78.38 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.622 176.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.544 ' HA ' HG21 ' A' ' 12' ' ' ILE . 46.9 t -64.26 -38.95 83.84 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.55 0 O-C-N 123.835 0.709 . . . . 0.0 111.179 -177.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 81.1 mm-40 -69.51 -31.23 69.34 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -178.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -80.61 -20.06 44.05 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.776 177.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.488 ' HB3' HD12 ' A' ' 12' ' ' ILE . 92.8 mmm -92.33 -33.96 14.4 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -178.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.9 p . . . . . 0 N--CA 1.463 0.199 0 O-C-N 123.065 0.228 . . . . 0.0 111.33 -178.638 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.487 ' O ' HG12 ' A' ' 12' ' ' ILE . 56.1 p . . . . . 0 N--CA 1.451 -0.418 0 CA-C-O 120.737 0.303 . . . . 0.0 110.482 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 14.7 mp0 -70.42 -20.42 62.92 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 123.521 0.728 . . . . 0.0 111.619 -173.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -64.19 -39.34 93.79 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.54 0.736 . . . . 0.0 111.176 175.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -75.11 -33.45 61.59 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.333 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.574 HG21 ' HA ' ' A' ' 69' ' ' VAL . 12.2 mm -74.96 -22.64 17.11 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.66 -177.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 43.4 mtp-105 -57.77 -56.18 25.31 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 122.705 0.402 . . . . 0.0 111.03 172.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -68.37 -30.91 69.96 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.305 1.003 . . . . 0.0 112.462 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.66 -44.8 77.02 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 117.914 0.325 . . . . 0.0 111.053 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -63.29 -31.98 73.27 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.632 0.773 . . . . 0.0 110.91 174.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -73.86 -24.96 59.82 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.178 -1.374 . . . . 0.0 112.282 -174.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 t -70.72 -46.97 66.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 172.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.534 ' HA ' HG21 ' A' ' 35' ' ' VAL . 57.9 m-85 -73.18 -36.46 66.58 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.202 -1.363 . . . . 0.0 112.073 -169.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -82.61 108.4 15.97 Favored 'General case' 0 C--N 1.341 0.229 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 173.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -78.4 -34.26 48.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.029 -0.987 . . . . 0.0 112.885 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -97.33 -11.5 23.97 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -170.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.5 46.58 62.0 Favored Glycine 0 CA--C 1.531 1.09 0 CA-C-O 119.579 -0.567 . . . . 0.0 114.454 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -106.03 -4.8 20.07 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.201 1.001 . . . . 0.0 112.186 178.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 64' ' ' ASN . . . 87.28 23.21 41.36 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 121.46 -0.4 . . . . 0.0 112.728 -178.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.585 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 38.6 m-85 -147.44 130.55 16.39 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.706 0.803 . . . . 0.0 110.776 -178.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.9 mt -98.83 104.81 16.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 169.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.4 p -84.03 176.16 9.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.65 0.262 . . . . 0.0 110.462 177.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.41 -26.5 68.01 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.178 -0.464 . . . . 0.0 112.113 174.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.79 -39.73 69.69 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.563 0.22 . . . . 0.0 111.419 176.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -73.11 -44.76 59.87 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.549 -178.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.446 HD23 HG13 ' A' ' 48' ' ' VAL . 33.7 tp -67.96 -34.98 77.6 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 123.855 0.722 . . . . 0.0 111.15 -178.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -65.41 -39.62 92.4 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.156 0.285 . . . . 0.0 110.953 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -63.38 -48.04 79.53 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.279 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.534 HG21 ' HA ' ' A' ' 19' ' ' PHE . 60.6 t -65.89 -42.24 91.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 O-C-N 123.715 0.635 . . . . 0.0 111.248 -176.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.4 mmt -57.31 -48.15 79.67 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.928 0.491 . . . . 0.0 112.218 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.481 HG23 ' HG2' ' A' ' 42' ' ' LYS . 23.3 m -71.71 -30.85 66.1 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.589 -177.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.09 -29.22 61.75 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.028 0.531 . . . . 0.0 112.145 178.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 87.4 mt -87.02 -2.12 58.39 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.89 -0.27 62.55 Favored Glycine 0 C--N 1.338 0.687 0 C-N-CA 121.296 -0.478 . . . . 0.0 113.603 174.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -80.67 -44.31 19.0 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.519 0.327 . . . . 0.0 110.731 -177.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.481 ' HG2' HG23 ' A' ' 37' ' ' THR . 35.7 mtmm 61.67 85.96 0.11 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.154 1.382 . . . . 0.0 112.524 178.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.2 mp -101.38 135.89 42.11 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.985 175.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 79.7 p -82.15 178.12 8.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.542 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -59.08 -39.63 82.77 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.247 0.619 . . . . 0.0 112.522 -173.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -77.71 -32.36 52.86 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.777 -177.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -77.52 -32.0 53.77 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 122.564 0.346 . . . . 0.0 111.294 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.446 HG13 HD23 ' A' ' 32' ' ' LEU . 53.1 t -66.97 -37.66 79.82 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.041 173.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.5 -30.22 69.85 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 123.343 0.402 . . . . 0.0 111.45 177.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -64.44 -34.1 77.4 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.928 0.491 . . . . 0.0 111.962 174.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 94.4 mmm -82.62 -31.29 28.9 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.813 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 18.7 mm -65.86 -47.48 85.44 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 O-C-N 123.602 0.563 . . . . 0.0 110.426 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -69.74 -22.86 63.34 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -177.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -82.84 -26.69 31.44 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 121.14 0.495 . . . . 0.0 110.613 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -95.99 -26.54 15.51 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -88.93 121.83 31.69 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.647 0.737 . . . . 0.0 111.087 -174.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 78.6 mt -80.16 -46.52 21.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 114.146 -1.388 . . . . 0.0 111.151 -176.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -88.48 -12.3 43.39 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -169.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.18 49.44 26.86 Favored Glycine 0 CA--C 1.538 1.478 0 N-CA-C 114.989 0.755 . . . . 0.0 114.989 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.3 p30 -106.22 -16.59 14.55 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 118.239 1.019 . . . . 0.0 112.504 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.85 -12.5 49.78 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 121.05 -0.595 . . . . 0.0 113.81 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.585 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 29.8 mt-30 -130.91 131.55 44.55 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 121.959 0.885 . . . . 0.0 111.196 177.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.0 t -90.56 112.44 24.96 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 CA-C-N 114.012 -1.449 . . . . 0.0 110.127 -171.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 25' ' ' GLY . 48.2 m-80 -65.01 178.55 0.81 Allowed 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.56 0.695 . . . . 0.0 112.212 175.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -64.51 -45.85 85.5 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.94 168.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -56.89 -39.98 75.4 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.426 0.691 . . . . 0.0 112.32 175.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -74.68 -34.55 62.7 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.929 -176.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -75.16 -39.81 60.06 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.892 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.574 ' HA ' HG21 ' A' ' 12' ' ' ILE . 92.0 t -66.31 -38.22 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 119.197 -0.43 . . . . 0.0 110.898 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -65.69 -35.55 81.1 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 177.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -73.99 -32.26 63.33 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 123.142 0.276 . . . . 0.0 111.245 178.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 72.4 mmm -86.13 -19.81 29.59 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -175.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.8 p . . . . . 0 CA--C 1.534 0.347 0 CA-C-O 121.137 0.494 . . . . 0.0 110.417 172.532 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.58 ' O ' HG12 ' A' ' 12' ' ' ILE . 76.7 p . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -63.6 -27.98 69.61 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -172.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -79.55 -25.97 41.52 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 178.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -81.28 -22.53 38.58 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.203 0.525 . . . . 0.0 109.882 174.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.635 HG21 ' HA ' ' A' ' 69' ' ' VAL . 50.3 mm -65.36 -28.24 43.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.321 173.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.404 ' O ' ' HG2' ' A' ' 17' ' ' ARG . 69.3 mtp180 -65.27 -37.51 87.43 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 122.785 0.434 . . . . 0.0 111.354 176.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -77.12 -35.42 56.27 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.797 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.07 -23.31 62.11 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.078 174.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -72.39 -27.1 62.15 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.445 175.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 15.1 mmm-85 -79.72 -19.81 47.96 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 111.522 0.193 . . . . 0.0 111.522 -177.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.1 t -74.83 -38.53 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.425 ' HA ' HG21 ' A' ' 35' ' ' VAL . 49.3 m-85 -86.68 -36.02 18.96 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.849 -173.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -92.22 101.19 13.69 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 24.0 mmtp -78.37 -28.95 47.14 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -90.71 -10.91 41.31 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -175.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.15 31.47 72.03 Favored Glycine 0 CA--C 1.533 1.159 0 N-CA-C 115.079 0.792 . . . . 0.0 115.079 176.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -93.02 -18.3 22.85 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 118.54 1.17 . . . . 0.0 112.664 -177.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.27 13.96 37.3 Favored Glycine 0 C--N 1.338 0.657 0 C-N-CA 120.889 -0.672 . . . . 0.0 113.046 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -142.02 130.23 22.19 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 123.912 0.885 . . . . 0.0 109.543 -179.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.3 mt -101.93 109.53 26.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.3 t -90.6 174.87 7.28 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.666 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.06 -27.96 67.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.109 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.4 -30.48 68.46 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 177.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -81.41 -42.76 19.92 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.986 -177.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.6 tp -65.77 -36.9 84.86 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 123.579 0.549 . . . . 0.0 110.69 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -64.12 -41.39 97.24 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 123.765 0.666 . . . . 0.0 111.056 176.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 50.7 t60 -67.41 -38.55 84.79 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 123.802 0.689 . . . . 0.0 111.298 -178.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.425 HG21 ' HA ' ' A' ' 19' ' ' PHE . 84.7 t -71.13 -45.26 72.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 O-C-N 123.418 0.449 . . . . 0.0 111.194 179.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.48 ' HG3' HD22 ' A' ' 43' ' ' LEU . 24.3 mmt -65.42 -40.24 93.11 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -176.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.533 HG23 ' HG3' ' A' ' 42' ' ' LYS . 46.5 m -68.61 -33.07 73.41 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 123.291 0.37 . . . . 0.0 111.303 179.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -72.41 -32.14 66.11 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 122.843 0.457 . . . . 0.0 111.103 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.3 mt -72.39 -12.04 60.94 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 122.926 0.49 . . . . 0.0 111.762 175.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.97 3.35 83.07 Favored Glycine 0 C--N 1.337 0.594 0 C-N-CA 121.727 -0.273 . . . . 0.0 112.574 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -78.38 -40.54 35.89 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 176.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.533 ' HG3' HG23 ' A' ' 37' ' ' THR . 79.9 tttt 56.68 86.81 0.06 Allowed 'General case' 0 C--N 1.346 0.455 0 O-C-N 125.521 1.763 . . . . 0.0 111.657 174.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.48 HD22 ' HG3' ' A' ' 36' ' ' MET . 5.5 tp -90.12 131.16 36.12 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.865 -174.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.9 m -71.0 165.74 22.81 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.479 0.712 . . . . 0.0 110.426 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -51.93 -48.2 64.34 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.224 1.01 . . . . 0.0 112.502 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 43.3 mp0 -66.79 -43.88 82.76 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 123.94 0.775 . . . . 0.0 110.948 177.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.86 -32.34 73.54 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -174.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.0 t -70.42 -41.92 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 175.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.81 -34.55 78.17 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 123.817 0.698 . . . . 0.0 111.293 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 18.5 mm-40 -62.8 -41.92 99.48 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 123.542 0.526 . . . . 0.0 111.421 175.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 92.5 mmm -78.14 -28.73 48.48 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -177.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.6 mm -64.71 -51.44 67.36 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.87 0 O-C-N 123.496 0.498 . . . . 0.0 109.737 171.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.1 ptt85 -72.17 -22.35 61.3 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -174.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -77.56 -33.92 53.89 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 120.949 0.404 . . . . 0.0 110.582 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.63 -19.84 21.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.159 -177.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -83.98 123.5 30.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.884 -177.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.444 HD11 ' HB2' ' A' ' 70' ' ' GLN . 66.4 mt -79.15 -42.74 23.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.984 -175.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -94.23 -12.24 28.61 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -171.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.11 59.11 6.64 Favored Glycine 0 CA--C 1.534 1.249 0 N-CA-C 114.727 0.651 . . . . 0.0 114.727 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.6 p30 -115.34 -15.72 11.53 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 118.001 0.9 . . . . 0.0 112.224 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.2 -12.5 48.47 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 120.841 -0.695 . . . . 0.0 114.452 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -130.92 135.12 47.38 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 122.404 1.097 . . . . 0.0 110.957 175.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.8 t -94.32 109.82 22.7 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 CA-C-N 113.102 -1.863 . . . . 0.0 107.235 -171.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -73.94 -174.12 1.76 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.906 -177.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.5 ' O ' HG23 ' A' ' 69' ' ' VAL . 77.9 t80 -62.89 -51.17 68.0 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.003 175.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -60.56 -34.53 74.3 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.235 1.014 . . . . 0.0 112.942 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -75.87 -29.31 58.47 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.489 -177.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.451 ' HA ' ' ND1' ' A' ' 71' ' ' HIS . 48.8 t80 -74.96 -40.85 60.53 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.679 174.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.635 ' HA ' HG21 ' A' ' 12' ' ' ILE . 52.4 t -66.6 -46.41 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 119.145 -0.455 . . . . 0.0 111.396 -176.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.444 ' HB2' HD11 ' A' ' 57' ' ' ILE . 75.7 mm-40 -64.45 -36.87 85.58 Favored 'General case' 0 C--O 1.221 -0.423 0 O-C-N 123.405 0.441 . . . . 0.0 112.056 -177.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.451 ' ND1' ' HA ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -77.49 -24.23 50.16 Favored 'General case' 0 CA--C 1.552 1.038 0 O-C-N 123.708 0.63 . . . . 0.0 111.069 -177.219 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 51.1 mmm -92.28 -25.34 18.64 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 123.099 0.56 . . . . 0.0 112.356 -175.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.1 p . . . . . 0 C--O 1.232 0.169 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.833 177.397 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.469 ' O ' HG12 ' A' ' 12' ' ' ILE . 22.4 m . . . . . 0 N--CA 1.463 0.195 0 N-CA-C 111.27 0.1 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -18.18 63.97 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.934 0.494 . . . . 0.0 111.542 177.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.517 ' HA ' HH11 ' A' ' 13' ' ' ARG . 10.1 tp10 -63.3 -37.33 86.82 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.168 0.987 . . . . 0.0 111.083 172.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -79.87 -30.33 40.22 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.221 178.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.559 HG21 ' HA ' ' A' ' 69' ' ' VAL . 18.3 mm -72.05 -22.41 21.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.254 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.517 HH11 ' HA ' ' A' ' 10' ' ' GLU . 63.1 mtt85 -58.44 -48.37 80.93 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 173.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -81.67 -26.27 34.86 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.752 0.31 . . . . 0.0 111.2 -178.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.433 ' O ' ' HD2' ' A' ' 19' ' ' PHE . . . -70.61 -30.5 67.18 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.021 174.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -70.54 -35.31 73.06 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 123.054 0.542 . . . . 0.0 110.384 175.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.9 mtp85 -69.7 -24.2 63.54 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -175.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.0 p -87.94 -20.35 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 CA-C-O 120.915 0.388 . . . . 0.0 111.285 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.433 ' HD2' ' O ' ' A' ' 15' ' ' ALA . 49.3 m-85 -91.75 -26.74 18.44 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 122.322 -0.236 . . . . 0.0 111.271 177.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -85.79 109.85 18.95 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 172.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -74.93 -25.96 59.27 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.865 -1.061 . . . . 0.0 113.708 -174.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -110.32 -11.75 14.5 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -173.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.57 24.61 67.29 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-O 118.831 -0.983 . . . . 0.0 115.144 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -87.46 -18.81 29.05 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 119.272 1.536 . . . . 0.0 112.838 -175.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.08 10.44 34.42 Favored Glycine 0 C--O 1.219 -0.8 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.196 -178.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.406 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 45.2 m-85 -138.01 130.26 28.99 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.506 0.722 . . . . 0.0 109.475 174.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.4 mt -94.95 108.59 21.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 175.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 m -84.16 172.78 11.61 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.69 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.566 ' O ' ' HB2' ' A' ' 33' ' ' ARG . . . -70.65 -26.21 63.35 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.846 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.49 -29.51 52.61 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.62 0.247 . . . . 0.0 111.221 175.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 35' ' ' VAL . 51.7 mt-10 -70.63 -54.41 12.08 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.119 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.0 tp -65.69 -27.1 68.1 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 123.872 0.732 . . . . 0.0 111.59 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.566 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 29.5 ttt-85 -62.91 -44.36 96.29 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.45 0.7 . . . . 0.0 110.52 178.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -75.0 -32.79 61.73 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.814 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 31' ' ' GLU . 66.8 t -68.0 -41.5 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 123.093 0.246 . . . . 0.0 110.868 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.8 mmt -65.61 -40.0 92.13 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.79 0.329 . . . . 0.0 111.72 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 39.8 m -66.57 -35.74 80.95 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.061 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -68.84 -39.94 79.68 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.716 0.807 . . . . 0.0 111.849 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.525 ' HB2' ' HG2' ' A' ' 41' ' ' GLU . 89.8 mt -74.48 -21.21 59.69 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.922 -179.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.9 18.87 42.12 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.596 -0.602 . . . . 0.0 111.596 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.525 ' HG2' ' HB2' ' A' ' 39' ' ' LEU . 8.5 mm-40 -78.38 -36.82 45.41 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 175.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.3 tttp 58.6 78.8 0.24 Allowed 'General case' 0 C--N 1.349 0.583 0 O-C-N 125.306 1.629 . . . . 0.0 111.156 174.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.502 ' HG ' ' HB2' ' A' ' 47' ' ' GLU . 3.9 tp -109.33 141.47 41.62 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.466 -175.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.2 p -77.25 169.15 18.84 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.175 0.297 . . . . 0.0 110.575 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.471 ' HB2' HH21 ' A' ' 33' ' ' ARG . 35.6 t70 -62.95 -32.72 74.09 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 123.285 0.365 . . . . 0.0 111.167 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.543 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 42.6 mt-10 -67.24 -49.81 63.05 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.315 176.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.502 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 51.0 mt-10 -68.35 -32.49 72.63 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -175.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.565 HG21 ' HA ' ' A' ' 33' ' ' ARG . 79.9 t -67.51 -41.72 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 175.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.477 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 37.0 t70 -60.44 -40.32 90.67 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.719 0.637 . . . . 0.0 111.685 179.041 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 34.2 mt-10 -66.95 -35.05 79.11 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.655 0.597 . . . . 0.0 111.368 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 87.8 mmm -74.32 -30.86 62.23 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 123.395 0.434 . . . . 0.0 111.85 178.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.4 mm -66.65 -52.25 47.69 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.953 0 O-C-N 123.423 0.452 . . . . 0.0 110.59 174.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 49' ' ' ASP . 2.6 ptt180 -71.11 -21.74 62.17 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -177.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -81.09 -26.55 36.14 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.07 0.462 . . . . 0.0 110.751 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.53 -17.56 26.81 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 122.139 -0.351 . . . . 0.0 111.204 175.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -88.92 119.54 29.53 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.243 0.544 . . . . 0.0 110.545 -176.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 79.2 mt -79.92 -46.06 22.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.617 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -88.71 -12.44 42.32 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -166.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.84 53.33 11.69 Favored Glycine 0 CA--C 1.535 1.298 0 N-CA-C 114.439 0.536 . . . . 0.0 114.439 -177.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.4 p30 -109.73 -15.53 14.12 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 117.493 0.647 . . . . 0.0 111.72 174.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.18 -2.93 59.79 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.538 -0.59 . . . . 0.0 113.983 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.406 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 7.3 mt-30 -138.01 131.85 31.33 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-O 122.25 1.024 . . . . 0.0 110.559 177.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 26.1 t -91.5 103.23 14.3 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.318 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.009 -169.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -79.3 179.58 7.32 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.718 -178.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -50.18 -51.94 39.68 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -175.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.01 -27.01 61.53 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -176.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -69.35 -39.12 78.32 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 122.856 0.462 . . . . 0.0 110.996 177.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -73.09 -34.89 66.46 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.224 177.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.559 ' HA ' HG21 ' A' ' 12' ' ' ILE . 24.1 t -64.77 -41.77 93.12 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.561 0 O-C-N 123.482 0.488 . . . . 0.0 111.027 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -68.36 -27.96 66.71 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -83.01 -23.29 33.34 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 120.669 0.271 . . . . 0.0 110.85 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.473 ' HB3' HD12 ' A' ' 12' ' ' ILE . 75.7 mmm -92.63 -48.09 6.77 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -176.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.9 p . . . . . 0 N--CA 1.467 0.41 0 C-N-CA 122.332 0.253 . . . . 0.0 111.613 -175.559 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.2 m . . . . . 0 CA--C 1.537 0.455 0 CA-C-O 120.852 0.358 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 10.6 pt-20 -59.95 -16.47 30.28 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -177.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -68.69 -36.93 79.14 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.312 1.045 . . . . 0.0 112.301 -177.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -84.83 -23.12 29.2 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.88 0.371 . . . . 0.0 110.265 174.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.507 HG21 ' HA ' ' A' ' 69' ' ' VAL . 19.6 mm -70.57 -22.44 23.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.08 176.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 95.5 mtt-85 -58.66 -46.69 86.62 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.116 0.566 . . . . 0.0 111.156 171.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -76.46 -36.39 57.91 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.868 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.405 ' O ' ' HD1' ' A' ' 19' ' ' PHE . . . -64.21 -33.55 76.07 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 122.964 0.506 . . . . 0.0 111.585 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -65.54 -31.89 73.2 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.086 0.554 . . . . 0.0 111.508 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.4 mmm180 -72.74 -30.38 64.11 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.654 -177.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -79.49 -30.79 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 O-C-N 123.143 0.277 . . . . 0.0 110.495 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.405 ' HD1' ' O ' ' A' ' 15' ' ' ALA . 30.6 m-85 -83.64 -25.11 31.05 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.756 -177.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -89.23 110.75 21.47 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 174.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' A' ' 21' ' ' LYS . 10.7 mmpt? -73.3 -22.39 60.36 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -175.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -112.79 -11.52 13.47 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.619 0.599 . . . . 0.0 112.619 -176.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.45 21.79 68.89 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-O 118.848 -0.974 . . . . 0.0 115.44 176.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -90.13 -18.75 25.24 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.273 1.536 . . . . 0.0 113.914 -173.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.78 13.2 26.26 Favored Glycine 0 CA--C 1.523 0.533 0 C-N-CA 120.445 -0.883 . . . . 0.0 113.255 -178.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.564 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 48.6 m-85 -137.69 130.81 30.49 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 175.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 63' ' ' VAL . 55.5 mt -101.21 107.33 21.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 174.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.5 m -83.58 176.08 9.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.696 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.533 ' O ' ' HB2' ' A' ' 33' ' ' ARG . . . -65.98 -36.67 83.95 Favored 'General case' 0 C--O 1.212 -0.879 0 O-C-N 123.188 0.305 . . . . 0.0 111.458 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.05 -32.64 70.85 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 123.294 0.371 . . . . 0.0 111.889 178.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 35' ' ' VAL . 49.4 mt-10 -70.74 -52.74 18.88 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.572 -178.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.6 tp -66.3 -30.86 71.36 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.876 0.735 . . . . 0.0 111.123 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.533 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 33.0 ttm180 -58.39 -47.04 85.17 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.347 1.059 . . . . 0.0 111.558 176.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -70.76 -33.57 70.92 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.486 -177.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.5 HG22 ' HE3' ' A' ' 21' ' ' LYS . 23.3 t -66.87 -43.72 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 123.244 0.34 . . . . 0.0 110.547 176.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.401 ' HG3' HD22 ' A' ' 43' ' ' LEU . 23.6 mmt -64.09 -37.86 88.97 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.867 0.467 . . . . 0.0 111.806 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 54.6 m -66.06 -38.44 88.36 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.012 176.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -71.29 -34.92 71.07 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.425 0.69 . . . . 0.0 112.187 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 95.8 mt -72.53 -27.43 62.23 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 122.685 0.394 . . . . 0.0 111.794 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.5 10.41 44.37 Favored Glycine 0 C--N 1.335 0.483 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 -174.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -76.09 -24.76 55.04 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 123.636 0.774 . . . . 0.0 111.313 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.1 pttt 45.38 53.18 8.43 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 126.05 1.74 . . . . 0.0 113.636 177.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.401 HD22 ' HG3' ' A' ' 36' ' ' MET . 4.4 mp -81.78 130.67 35.14 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.336 178.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.26 176.49 7.34 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.247 179.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.14 -39.54 93.15 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 122.22 -0.3 . . . . 0.0 111.7 -177.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -70.59 -32.87 70.41 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.366 0.416 . . . . 0.0 111.557 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -70.0 -44.43 69.36 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.38 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.505 HG21 ' HA ' ' A' ' 33' ' ' ARG . 60.4 t -69.44 -33.49 57.62 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.608 0 O-C-N 123.515 0.51 . . . . 0.0 110.374 177.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.471 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 23.8 t70 -58.66 -46.77 86.45 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 122.935 0.494 . . . . 0.0 111.645 177.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -71.44 -27.23 63.13 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 123.378 0.424 . . . . 0.0 112.058 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.1 mmt -79.42 -27.45 41.74 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.414 HD13 ' HA ' ' A' ' 52' ' ' ILE . 16.6 mm -66.71 -50.21 67.88 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.845 0 O-C-N 123.623 0.577 . . . . 0.0 109.991 174.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 49' ' ' ASP . 8.5 ptt180 -73.03 -21.87 60.73 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -72.16 -32.39 66.82 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 120.974 0.416 . . . . 0.0 110.646 173.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.75 -21.06 24.01 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.798 178.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -92.44 121.92 34.38 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.553 -173.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 60.4 mt -79.39 -46.55 23.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.756 -176.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -88.56 -11.49 45.48 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -169.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.09 42.86 57.99 Favored Glycine 0 CA--C 1.538 1.497 0 N-CA-C 115.182 0.833 . . . . 0.0 115.182 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 45.6 p30 -99.79 -16.12 18.2 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 117.66 0.73 . . . . 0.0 112.155 178.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.57 -6.06 67.6 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-O 119.752 -0.471 . . . . 0.0 113.883 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.564 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 11.1 mt-30 -128.68 131.09 47.98 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 121.552 0.691 . . . . 0.0 109.872 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.401 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 58.8 t -96.97 109.76 23.71 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.182 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.59 -170.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -65.25 -179.3 0.57 Allowed 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.508 0.671 . . . . 0.0 112.086 177.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -62.71 -45.81 91.02 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.882 167.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -60.87 -38.1 84.44 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.413 0.685 . . . . 0.0 112.76 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -76.25 -32.75 59.04 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 122.899 0.479 . . . . 0.0 111.767 -177.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -71.99 -42.18 66.78 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.514 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.507 ' HA ' HG21 ' A' ' 12' ' ' ILE . 72.3 t -62.53 -39.22 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 O-C-N 123.531 0.519 . . . . 0.0 111.134 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -67.34 -31.6 71.98 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -81.57 -26.49 34.95 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 122.977 0.173 . . . . 0.0 111.294 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 70.9 mmm -83.38 -27.99 29.26 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -178.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.0 p . . . . . 0 CA--C 1.529 0.168 0 N-CA-C 111.582 0.215 . . . . 0.0 111.582 -179.798 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.448 -0.544 0 CA-C-O 121.367 0.604 . . . . 0.0 111.628 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 8.0 mp0 -71.2 -14.24 62.19 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.839 -171.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.477 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 3.4 mp0 -79.25 -27.17 42.37 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 122.546 0.339 . . . . 0.0 111.341 -177.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -83.31 -25.96 31.04 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 172.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.544 HG21 ' HA ' ' A' ' 69' ' ' VAL . 39.0 mm -68.49 -30.74 48.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 172.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.477 ' HD2' ' HA ' ' A' ' 10' ' ' GLU . 94.0 mtt180 -65.93 -38.89 89.83 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.216 0.606 . . . . 0.0 111.187 171.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -72.74 -34.53 67.11 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.782 0.676 . . . . 0.0 110.862 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.26 -37.23 83.15 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 122.845 0.458 . . . . 0.0 110.449 174.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -64.46 -27.22 68.84 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.528 0.731 . . . . 0.0 110.94 177.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 17' ' ' ARG . 3.3 mmp_? -73.53 -25.85 60.6 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 178.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 t -82.16 -42.05 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 176.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -73.13 -32.54 64.97 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.763 -1.108 . . . . 0.0 112.092 -174.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -91.85 102.85 15.44 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.09 0.471 . . . . 0.0 109.752 175.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.473 ' HE2' HG22 ' A' ' 35' ' ' VAL . 73.4 mmtt -77.67 -29.7 51.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.304 -0.862 . . . . 0.0 113.032 -178.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -96.49 -12.02 24.73 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -173.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.5 27.69 67.11 Favored Glycine 0 CA--C 1.536 1.393 0 N-CA-C 115.41 0.924 . . . . 0.0 115.41 177.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -92.99 -16.14 25.42 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 118.866 1.333 . . . . 0.0 113.045 -175.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.14 13.38 49.32 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.953 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -138.75 130.4 27.58 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.795 0.838 . . . . 0.0 109.376 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.535 ' HB ' ' HB ' ' A' ' 63' ' ' VAL . 65.3 mt -99.16 110.53 26.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.0 p -89.61 171.64 9.53 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.127 176.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.552 ' O ' ' HB2' ' A' ' 33' ' ' ARG . . . -71.04 -22.4 62.14 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.542 178.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.94 -35.56 72.27 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 122.427 0.291 . . . . 0.0 111.636 176.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 35' ' ' VAL . 43.3 mt-10 -74.16 -51.18 16.35 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.663 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.8 tp -63.06 -30.23 71.43 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 124.106 0.878 . . . . 0.0 111.746 -178.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.552 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 20.8 ttt-85 -62.46 -43.95 97.58 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.725 0.81 . . . . 0.0 110.974 176.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -73.38 -34.5 65.59 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.206 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.473 HG22 ' HE2' ' A' ' 21' ' ' LYS . 96.5 t -69.25 -45.95 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 123.347 0.404 . . . . 0.0 110.792 -177.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 30.3 mmt -61.31 -45.14 95.71 Favored 'General case' 0 C--O 1.223 -0.341 0 O-C-N 123.313 0.383 . . . . 0.0 111.738 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 m -70.16 -29.56 66.49 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -74.58 -42.51 58.59 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.003 0.521 . . . . 0.0 111.527 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.2 mp -73.77 -15.01 61.21 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -178.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.48 5.81 42.13 Favored Glycine 0 C--N 1.337 0.603 0 C-N-CA 121.296 -0.478 . . . . 0.0 113.171 176.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -76.38 -42.78 43.31 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 122.712 0.405 . . . . 0.0 110.066 178.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt 54.3 69.54 0.71 Allowed 'General case' 0 N--CA 1.473 0.692 0 O-C-N 124.803 1.314 . . . . 0.0 111.607 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.419 ' HG ' ' HB2' ' A' ' 47' ' ' GLU . 11.0 tp -89.51 143.9 26.45 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.757 -173.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.03 158.53 35.5 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.475 0.485 . . . . 0.0 110.569 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -55.31 -47.67 75.26 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.324 1.05 . . . . 0.0 113.009 -177.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -72.1 -27.08 62.42 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 178.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.419 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 32.8 mm-40 -72.07 -35.49 69.28 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 123.258 0.349 . . . . 0.0 111.063 176.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 70.6 t -64.06 -39.99 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 123.471 0.708 . . . . 0.0 110.419 174.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -59.91 -39.13 84.37 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.381 0.672 . . . . 0.0 111.154 175.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.54 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 44.8 mt-10 -73.0 -31.21 64.35 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.393 -179.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 72.2 mmm -73.85 -32.23 63.55 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.095 0.158 . . . . 0.0 110.655 175.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.5 mm -68.65 -46.46 79.81 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.631 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.029 175.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.54 ' HG2' ' HA ' ' A' ' 50' ' ' GLU . 17.5 ptm180 -71.88 -24.91 61.74 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -176.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.41 ' HB3' ' CE1' ' A' ' 71' ' ' HIS . 25.5 mt-10 -71.22 -38.35 72.01 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-O 120.791 0.329 . . . . 0.0 111.243 174.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.53 -18.13 36.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.872 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -86.22 115.17 23.6 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.923 0.868 . . . . 0.0 109.271 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.445 HD11 ' HB2' ' A' ' 70' ' ' GLN . 85.3 mt -79.49 -36.34 17.65 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.031 0 CA-C-N 114.207 -1.361 . . . . 0.0 111.059 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -100.28 -12.37 19.56 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 -170.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.15 59.62 5.32 Favored Glycine 0 CA--C 1.54 1.635 0 N-CA-C 114.935 0.734 . . . . 0.0 114.935 -176.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.1 p30 -114.6 -15.52 11.97 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 118.124 0.962 . . . . 0.0 111.949 175.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.96 -10.46 44.39 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 121.701 -0.285 . . . . 0.0 113.304 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -126.57 157.5 38.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 122.153 0.977 . . . . 0.0 110.985 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.535 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 54.0 t -113.68 107.46 22.99 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -173.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -76.6 -173.04 2.41 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -178.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -65.72 -50.93 63.04 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.32 177.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -59.11 -34.03 71.54 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.284 1.034 . . . . 0.0 112.448 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -76.46 -36.78 57.69 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.604 -177.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -70.09 -44.83 68.25 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.734 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.544 ' HA ' HG21 ' A' ' 12' ' ' ILE . 55.7 t -63.88 -46.91 92.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 O-C-N 123.886 0.741 . . . . 0.0 111.884 -176.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.445 ' HB2' HD11 ' A' ' 57' ' ' ILE . 17.2 mm100 -68.94 -24.23 64.25 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -176.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.41 ' CE1' ' HB3' ' A' ' 54' ' ' GLU . 84.0 t60 -83.03 -33.66 26.43 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 119.765 -0.159 . . . . 0.0 110.976 175.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 60.4 mmm -76.09 -38.51 56.88 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -175.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.5 p . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -176.084 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.5 m . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -78.04 -25.17 47.67 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.745 0.783 . . . . 0.0 109.915 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.555 ' HA ' ' HG3' ' A' ' 13' ' ' ARG . 46.2 mt-10 -77.83 -21.06 52.08 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.533 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -61.52 -36.04 79.41 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.739 0.781 . . . . 0.0 110.263 167.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.534 HG21 ' HA ' ' A' ' 69' ' ' VAL . 19.2 mm -75.68 -21.84 16.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 114.455 -1.248 . . . . 0.0 111.005 -174.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.555 ' HG3' ' HA ' ' A' ' 10' ' ' GLU . 52.6 mtm180 -57.9 -43.46 86.15 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.474 0.309 . . . . 0.0 111.399 175.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.48 -37.94 77.48 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.75 0.82 . . . . 0.0 111.539 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.52 ' O ' ' HD1' ' A' ' 19' ' ' PHE . . . -66.03 -42.16 89.98 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 123.051 0.219 . . . . 0.0 110.67 175.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -61.84 -30.21 70.69 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.161 0.985 . . . . 0.0 111.399 175.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -74.88 -23.65 58.42 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.17 0.988 . . . . 0.0 111.721 -175.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -75.86 -41.42 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 173.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.52 ' HD1' ' O ' ' A' ' 15' ' ' ALA . 60.9 m-85 -78.21 -33.8 49.72 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 114.64 -1.164 . . . . 0.0 112.115 -170.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -87.5 108.21 18.92 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 173.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.503 ' HE2' HG22 ' A' ' 35' ' ' VAL . 72.3 mmtt -78.58 -25.25 45.24 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.62 0.971 . . . . 0.0 113.62 -176.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -100.99 -11.27 19.82 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -177.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.86 40.94 93.72 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 114.844 0.697 . . . . 0.0 114.844 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -98.84 -18.22 18.03 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 118.492 1.146 . . . . 0.0 112.314 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.66 10.96 34.14 Favored Glycine 0 C--O 1.222 -0.654 0 C-N-CA 120.61 -0.805 . . . . 0.0 113.544 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.537 ' CE1' ' HB3' ' A' ' 64' ' ' ASN . 39.4 m-85 -141.46 130.3 23.01 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 117.162 0.481 . . . . 0.0 110.155 174.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.4 mt -100.71 119.47 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.3 p -96.69 178.49 5.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.134 175.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.77 -23.08 60.76 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.891 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.88 -38.01 70.08 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 120.474 0.178 . . . . 0.0 110.922 176.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 35' ' ' VAL . 41.1 mt-10 -70.62 -49.63 45.57 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.957 0.786 . . . . 0.0 111.043 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.4 tp -66.97 -28.77 68.54 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 123.97 0.794 . . . . 0.0 112.095 -176.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.607 ' HA ' HG21 ' A' ' 48' ' ' VAL . 56.5 ttt-85 -67.88 -37.53 81.9 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.129 0.172 . . . . 0.0 110.889 178.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -69.59 -39.39 77.3 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.088 176.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.505 HG21 ' HA ' ' A' ' 19' ' ' PHE . 43.0 t -68.22 -41.93 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 O-C-N 123.249 0.343 . . . . 0.0 111.355 -178.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.8 mmt -62.48 -46.99 85.94 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 122.622 0.369 . . . . 0.0 111.835 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.7 m -72.75 -24.84 61.01 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.584 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.403 HD22 HD22 ' A' ' 39' ' ' LEU . 8.3 t30 -71.03 -45.25 64.23 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 122.876 0.47 . . . . 0.0 110.764 175.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.403 HD22 HD22 ' A' ' 38' ' ' ASN . 3.6 mm? -73.55 -20.12 60.72 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.424 -175.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.22 18.38 9.25 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.654 -0.784 . . . . 0.0 113.181 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -84.3 -43.58 14.67 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 176.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? 59.43 90.31 0.05 Allowed 'General case' 0 N--CA 1.473 0.69 0 O-C-N 125.301 1.625 . . . . 0.0 109.478 -174.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.499 ' HG ' ' HB2' ' A' ' 47' ' ' GLU . 5.3 tp -124.84 135.89 53.33 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.753 -174.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.1 p -77.41 168.6 19.75 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.428 0.455 . . . . 0.0 110.164 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -63.12 -30.48 71.63 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -177.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 40.2 mt-10 -72.17 -41.83 66.61 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.67 0.606 . . . . 0.0 111.166 177.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.499 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 47.7 mt-10 -71.51 -33.12 68.94 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 123.448 0.468 . . . . 0.0 111.057 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.607 HG21 ' HA ' ' A' ' 33' ' ' ARG . 45.1 t -70.63 -35.27 60.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 123.697 0.799 . . . . 0.0 111.001 175.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -67.1 -31.91 72.71 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 122.61 0.364 . . . . 0.0 111.263 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 7.7 mm-40 -65.67 -35.84 81.93 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.655 0.382 . . . . 0.0 110.711 173.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 94.8 mmm -76.72 -31.56 57.23 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.694 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.2 mm -67.45 -46.08 84.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.82 0 O-C-N 123.581 0.551 . . . . 0.0 110.669 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.9 ptt85 -73.68 -21.0 60.39 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 123.42 0.45 . . . . 0.0 111.971 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -77.05 -31.58 56.28 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 122.819 0.448 . . . . 0.0 110.693 175.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.55 -16.11 29.4 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.938 178.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -87.04 122.53 30.99 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.333 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 74.2 mt -79.88 -34.82 15.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.069 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -104.18 -11.1 17.46 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -171.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.89 41.17 62.73 Favored Glycine 0 CA--C 1.538 1.518 0 CA-C-O 119.162 -0.799 . . . . 0.0 114.964 -177.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.5 p30 -94.46 -16.01 23.74 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 118.367 1.084 . . . . 0.0 112.462 176.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.07 3.7 56.76 Favored Glycine 0 CA--C 1.527 0.824 0 O-C-N 123.214 0.321 . . . . 0.0 113.332 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.423 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 4.1 mt-30 -135.86 137.17 41.19 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.894 0.855 . . . . 0.0 109.784 178.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.8 t -104.92 109.12 26.62 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.693 -175.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.537 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 4.4 p30 -87.38 -175.96 5.45 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.253 177.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.4 ' O ' HG23 ' A' ' 69' ' ' VAL . 57.1 t80 -51.54 -53.41 38.13 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 123.906 0.882 . . . . 0.0 113.226 -177.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.55 -28.61 63.98 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -175.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.35 -36.44 76.9 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 123.558 0.536 . . . . 0.0 110.895 175.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -75.99 -40.17 54.3 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.084 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.534 ' HA ' HG21 ' A' ' 12' ' ' ILE . 72.4 t -61.33 -44.04 97.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 122.877 0.471 . . . . 0.0 110.748 177.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -67.79 -20.76 65.24 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -84.04 -28.15 27.84 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 122.164 -0.335 . . . . 0.0 110.649 175.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 79.2 mmm -86.28 -49.08 7.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.549 -175.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.6 p . . . . . 0 CA--C 1.532 0.257 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -173.265 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.521 ' O ' HG12 ' A' ' 12' ' ' ILE . 79.9 p . . . . . 0 CA--C 1.522 -0.106 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.8 -16.4 62.18 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 122.735 0.414 . . . . 0.0 111.422 178.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.559 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 43.3 mt-10 -71.73 -27.56 63.09 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.882 0.473 . . . . 0.0 111.222 174.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -85.06 -27.33 26.41 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.048 0.452 . . . . 0.0 110.141 173.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.521 HG12 ' O ' ' A' ' 8' ' ' SER . 31.8 mm -68.93 -21.94 26.0 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.901 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.1 176.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.559 ' HD3' ' HA ' ' A' ' 10' ' ' GLU . 16.2 mtp180 -56.38 -41.63 76.54 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.067 0.547 . . . . 0.0 112.143 168.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -81.37 -35.27 31.02 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.581 0.352 . . . . 0.0 111.16 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.82 -26.52 66.11 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.924 0.392 . . . . 0.0 111.327 177.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -69.87 -32.67 71.16 Favored 'General case' 0 C--O 1.207 -1.162 0 C-N-CA 123.413 0.685 . . . . 0.0 110.218 173.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -80.05 -14.84 58.23 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -177.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.41 -34.36 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 172.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -87.91 -44.57 10.95 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.496 -175.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -84.5 107.09 16.55 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 174.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -78.1 -33.76 50.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.783 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -91.42 -12.32 35.11 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -171.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.14 46.4 94.07 Favored Glycine 0 CA--C 1.529 0.961 0 CA-C-O 119.372 -0.682 . . . . 0.0 114.624 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -99.84 -14.52 18.75 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.142 0.971 . . . . 0.0 111.891 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.442 ' O ' ' HA ' ' A' ' 64' ' ' ASN . . . 100.1 10.58 45.19 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.781 -178.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.49 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 52.5 m-85 -140.66 130.52 24.48 Favored 'General case' 0 CA--C 1.524 -0.033 0 C-N-CA 123.396 0.678 . . . . 0.0 110.419 178.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.4 mt -95.8 107.41 19.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 169.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.7 p -84.26 177.43 8.19 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.354 177.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.466 ' O ' ' HB2' ' A' ' 33' ' ' ARG . . . -70.61 -21.51 62.64 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.697 178.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.22 -36.19 63.93 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.487 0.184 . . . . 0.0 110.92 175.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -74.22 -44.61 52.52 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.863 -177.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.403 HD23 HG13 ' A' ' 48' ' ' VAL . 23.3 tp -69.61 -31.38 69.48 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.504 0.502 . . . . 0.0 110.902 179.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 63.4 ttt-85 -65.82 -34.18 77.57 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.143 0.577 . . . . 0.0 111.165 176.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -78.94 -41.9 28.23 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.031 -175.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.454 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 27.7 m -76.78 -33.73 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -174.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.507 ' HG3' HD22 ' A' ' 43' ' ' LEU . 21.2 mmt -66.85 -50.54 62.18 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 117.866 0.303 . . . . 0.0 110.993 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.7 m -60.47 -32.04 71.02 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 124.209 0.943 . . . . 0.0 111.708 177.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -72.16 -33.8 67.99 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 122.82 0.448 . . . . 0.0 111.775 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 95.3 mt -73.5 -25.29 60.37 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 122.407 0.283 . . . . 0.0 111.746 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.52 -5.31 8.66 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.366 177.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -98.37 132.5 43.79 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -104.6 76.41 1.29 Allowed 'General case' 0 C--N 1.295 -1.783 0 CA-C-O 121.677 0.751 . . . . 0.0 110.758 -170.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.507 HD22 ' HG3' ' A' ' 36' ' ' MET . 4.9 mp -81.93 122.7 28.09 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.085 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.1 p -76.3 177.21 7.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.718 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -65.73 -28.89 69.38 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -71.23 -45.94 62.2 Favored 'General case' 0 C--O 1.223 -0.339 0 O-C-N 123.85 0.719 . . . . 0.0 109.915 175.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.3 -43.0 87.51 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.925 0.765 . . . . 0.0 112.207 -177.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.403 HG13 HD23 ' A' ' 32' ' ' LEU . 93.0 t -64.44 -41.8 93.4 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.448 0 O-C-N 123.855 0.722 . . . . 0.0 110.779 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -58.62 -43.85 89.79 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.235 0.614 . . . . 0.0 112.112 178.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.493 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 47.3 mt-10 -75.2 -29.82 60.44 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.68 -178.338 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 93.0 mmm -73.55 -31.08 63.46 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 121.977 0.111 . . . . 0.0 111.244 175.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 21.2 mm -68.71 -48.87 69.17 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.754 0 O-C-N 123.606 0.566 . . . . 0.0 110.828 175.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.493 ' HG2' ' HA ' ' A' ' 50' ' ' GLU . 14.1 ptp180 -73.16 -25.65 60.89 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -173.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -85.78 -11.05 54.51 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.986 0.422 . . . . 0.0 111.366 177.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.97 -13.64 19.01 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.691 173.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -94.97 121.61 36.76 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.348 -175.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 82.1 mt -79.69 -46.83 22.47 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.554 -175.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -86.12 -11.89 51.45 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -171.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.87 43.75 57.68 Favored Glycine 0 CA--C 1.534 1.249 0 N-CA-C 114.792 0.677 . . . . 0.0 114.792 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 45.4 p30 -99.98 -15.82 18.16 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.032 0.916 . . . . 0.0 111.664 176.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.44 0.86 62.65 Favored Glycine 0 CA--C 1.532 1.131 0 CA-C-O 119.668 -0.518 . . . . 0.0 114.231 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.49 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 23.3 mt-30 -136.07 131.03 34.34 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.049 0.925 . . . . 0.0 109.975 175.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 54.6 t -90.09 109.66 20.93 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.268 -170.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' A' ' 25' ' ' GLY . 50.0 m-80 -64.04 178.79 0.61 Allowed 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.664 0.745 . . . . 0.0 112.329 177.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -58.24 -47.08 84.64 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.033 165.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.543 ' HG3' ' HG3' ' A' ' 67' ' ' GLU . 7.9 pt-20 -58.87 -40.83 85.52 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.38 0.672 . . . . 0.0 112.389 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.543 ' HG3' ' HG3' ' A' ' 66' ' ' GLU . 52.2 mt-10 -76.88 -32.82 57.74 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.062 -174.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -77.11 -30.28 55.17 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-O 118.993 -0.527 . . . . 0.0 110.559 176.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.516 ' HA ' HG21 ' A' ' 12' ' ' ILE . 31.1 t -64.27 -46.84 92.12 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.92 0 CA-C-N 117.984 0.356 . . . . 0.0 110.105 174.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -71.01 -24.65 62.41 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.34 0.59 . . . . 0.0 112.044 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -73.71 -33.03 64.21 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.107 0.963 . . . . 0.0 110.654 173.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 63.5 mmm -91.08 -23.54 20.29 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -175.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.6 p . . . . . 0 C--O 1.235 0.31 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -177.499 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.0 m . . . . . 0 CA--C 1.529 0.135 0 N-CA-C 111.48 0.178 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -63.99 -32.54 74.12 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.332 0.653 . . . . 0.0 111.067 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -72.19 -22.93 61.2 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.855 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -84.69 -24.03 29.12 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 120.631 0.253 . . . . 0.0 110.649 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.58 HG21 ' HA ' ' A' ' 69' ' ' VAL . 18.7 mm -71.0 -22.86 23.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.224 176.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.521 ' HG2' ' CE1' ' A' ' 65' ' ' TYR . 56.4 mtm180 -60.07 -39.96 87.87 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.907 0.483 . . . . 0.0 111.612 177.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -76.56 -39.2 53.49 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.583 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.19 -35.26 79.72 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 123.814 0.696 . . . . 0.0 111.312 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -62.23 -35.24 78.31 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.692 0.797 . . . . 0.0 111.755 177.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 45.7 mtm180 -77.96 -16.84 57.84 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -176.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -85.4 -37.88 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 174.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -74.42 -31.81 62.44 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.656 -176.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -83.34 106.15 14.87 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 172.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.521 ' HE3' ' HD2' ' A' ' 34' ' ' HIS . 3.3 mmmp? -78.12 -21.92 49.63 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -174.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -104.7 -11.19 17.0 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -177.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.54 37.55 78.18 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 114.997 0.759 . . . . 0.0 114.997 177.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -100.81 -10.88 20.33 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 118.6 1.2 . . . . 0.0 112.891 -177.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.65 13.73 46.34 Favored Glycine 0 C--N 1.334 0.42 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.916 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.565 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 69.6 m-85 -142.4 130.15 21.59 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 123.904 0.881 . . . . 0.0 109.816 -178.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' A' ' 63' ' ' VAL . 69.4 mt -102.23 118.52 49.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.2 p -92.25 177.49 6.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.48 177.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.85 -24.81 62.59 Favored 'General case' 0 C--O 1.208 -1.084 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.856 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.03 -30.46 44.18 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 122.132 -0.355 . . . . 0.0 111.467 177.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -73.39 -44.93 57.53 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 123.217 0.323 . . . . 0.0 111.519 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.9 tp -71.4 -29.82 65.38 Favored 'General case' 0 C--O 1.22 -0.448 0 O-C-N 123.72 0.637 . . . . 0.0 110.521 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.454 ' HA ' HG21 ' A' ' 48' ' ' VAL . 5.5 ttp180 -65.85 -38.16 88.12 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.756 174.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.521 ' HD2' ' HE3' ' A' ' 21' ' ' LYS . 46.5 t60 -74.32 -37.31 63.64 Favored 'General case' 0 N--CA 1.438 -1.026 0 O-C-N 123.787 0.679 . . . . 0.0 109.55 -171.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.8 m -76.87 -27.85 16.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.9 mmt -70.54 -40.26 73.52 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 121.132 0.491 . . . . 0.0 110.666 175.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 26.9 m -72.88 -32.59 65.49 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.877 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -67.77 -32.58 73.27 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.874 0.47 . . . . 0.0 112.125 175.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.0 mt -77.36 -8.16 57.24 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 122.647 0.379 . . . . 0.0 111.979 178.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.19 3.47 79.0 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 121.74 -0.267 . . . . 0.0 113.006 177.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -80.9 -37.17 30.15 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 76.7 tttt 62.11 81.64 0.19 Allowed 'General case' 0 C--N 1.349 0.549 0 O-C-N 125.213 1.571 . . . . 0.0 111.362 171.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 tp -98.41 137.96 36.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.025 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -75.71 168.03 20.78 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.16 0.288 . . . . 0.0 111.413 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -59.55 -41.61 90.51 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.51 -173.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 40.2 mt-10 -74.29 -36.13 63.74 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.913 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.04 -37.44 87.59 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.695 0.398 . . . . 0.0 112.013 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.454 HG21 ' HA ' ' A' ' 33' ' ' ARG . 93.3 t -70.73 -32.97 50.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.711 179.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -69.43 -30.74 68.74 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.105 0.162 . . . . 0.0 110.646 176.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 12.7 mm-40 -67.4 -32.89 74.1 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 122.872 0.469 . . . . 0.0 111.14 171.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 99.1 mmm -76.6 -28.25 56.09 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.071 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.8 mm -69.31 -42.4 81.29 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.882 0 O-C-N 123.376 0.422 . . . . 0.0 110.752 176.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.7 ptt85 -73.4 -22.7 60.18 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.233 0.47 . . . . 0.0 112.074 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -82.22 -16.66 48.82 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.074 0.149 . . . . 0.0 111.365 175.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.56 -32.97 11.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.93 0.395 . . . . 0.0 111.26 177.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -83.48 118.86 24.05 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.659 0.742 . . . . 0.0 110.58 -174.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 58.1 mt -79.99 -47.41 21.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 114.056 -1.429 . . . . 0.0 110.785 -178.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -88.22 -12.18 44.53 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -165.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.41 56.61 7.47 Favored Glycine 0 CA--C 1.534 1.27 0 N-CA-C 114.397 0.519 . . . . 0.0 114.397 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.9 p30 -115.34 -15.26 11.58 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 117.551 0.676 . . . . 0.0 112.513 175.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.55 -16.08 56.75 Favored Glycine 0 CA--C 1.534 1.228 0 N-CA-C 114.406 0.522 . . . . 0.0 114.406 -178.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.565 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 13.3 mt-30 -125.91 133.7 51.8 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 122.026 0.917 . . . . 0.0 110.654 -179.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.415 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 61.2 t -97.64 110.32 25.17 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 CA-C-N 113.85 -1.523 . . . . 0.0 108.777 -168.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.5 -173.63 3.44 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.521 ' CE1' ' HG2' ' A' ' 13' ' ' ARG . 35.5 t80 -59.27 -53.02 62.98 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.21 176.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.84 -29.72 70.88 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -76.21 -35.61 58.98 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.023 0.529 . . . . 0.0 111.022 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -72.04 -33.09 67.72 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.948 178.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.58 ' HA ' HG21 ' A' ' 12' ' ' ILE . 80.6 t -67.02 -38.44 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 122.677 0.391 . . . . 0.0 111.007 -178.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -68.13 -33.04 73.75 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -81.05 -20.03 42.53 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.372 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 78.6 mmm -89.4 -26.76 20.84 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.3 p . . . . . 0 C--O 1.233 0.221 0 CA-C-O 120.978 0.418 . . . . 0.0 110.882 178.344 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.452 ' O ' HG12 ' A' ' 12' ' ' ILE . 50.7 m . . . . . 0 CA--C 1.53 0.195 0 CA-C-O 120.482 0.182 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -59.35 -34.3 72.2 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.156 0.982 . . . . 0.0 113.101 -172.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -67.21 -33.02 74.49 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.773 0.829 . . . . 0.0 112.157 177.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -78.14 -28.47 48.44 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.614 0.245 . . . . 0.0 110.636 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.586 HG21 ' HA ' ' A' ' 69' ' ' VAL . 16.5 mm -69.45 -22.18 25.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.642 178.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HG2' ' CE1' ' A' ' 65' ' ' TYR . 67.3 mtp180 -58.12 -47.0 84.64 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.758 0.423 . . . . 0.0 111.75 175.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -81.74 -30.56 32.39 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.036 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.01 -29.72 70.66 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 122.656 0.383 . . . . 0.0 111.544 176.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -68.73 -35.23 76.85 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.515 175.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.6 mtt180 -74.3 -18.16 60.75 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -176.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.96 -38.01 35.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 174.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -80.28 -42.55 22.91 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.71 -175.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.91 105.69 13.23 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.349 178.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -78.47 -29.5 46.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.845 -1.07 . . . . 0.0 112.764 -176.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -96.15 -11.7 25.81 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -174.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.89 25.41 75.81 Favored Glycine 0 CA--C 1.535 1.286 0 N-CA-C 115.523 0.969 . . . . 0.0 115.523 177.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -85.21 -16.31 40.72 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 118.734 1.267 . . . . 0.0 112.274 -177.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.91 10.51 52.22 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.856 -0.688 . . . . 0.0 113.113 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.531 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 69.2 m-85 -138.91 129.87 26.49 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.302 0.641 . . . . 0.0 109.934 177.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.9 mt -92.33 109.15 21.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 176.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 76.2 p -82.04 173.32 12.28 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.212 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.69 -26.57 65.36 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.644 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.75 -35.5 72.68 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 122.419 0.288 . . . . 0.0 111.579 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 35' ' ' VAL . 41.6 mt-10 -72.18 -51.74 19.81 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.323 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.5 tp -66.99 -31.38 71.9 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 123.888 0.742 . . . . 0.0 111.614 -176.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.609 ' HA ' HG21 ' A' ' 48' ' ' VAL . 34.0 ttt180 -64.14 -43.65 94.57 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.118 0.567 . . . . 0.0 110.91 177.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -71.32 -35.07 71.11 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.004 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 31' ' ' GLU . 97.1 t -66.74 -45.46 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 122.683 0.393 . . . . 0.0 110.913 177.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.424 ' HB3' ' HB2' ' A' ' 43' ' ' LEU . 23.0 mmt -61.44 -43.98 97.91 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.053 0.541 . . . . 0.0 111.815 178.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 90.3 m -65.64 -39.39 91.39 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.517 177.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -68.34 -36.77 79.74 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.4 0.68 . . . . 0.0 111.946 -177.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.1 mt -80.95 -24.03 38.39 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.0 -177.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.15 24.6 4.13 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.434 174.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.419 ' HB3' HD13 ' A' ' 43' ' ' LEU . 6.5 mp0 -95.57 -33.66 12.31 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 122.481 0.313 . . . . 0.0 110.416 176.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 61.79 32.82 18.06 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 124.711 1.257 . . . . 0.0 112.395 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.424 ' HB2' ' HB3' ' A' ' 36' ' ' MET . 2.4 mp -61.83 124.44 20.76 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 123.505 0.503 . . . . 0.0 110.691 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.1 p -73.05 174.34 8.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.987 -177.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.31 -33.38 75.69 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.106 -177.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.16 -44.5 79.58 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.236 175.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -67.66 -36.7 81.21 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.609 HG21 ' HA ' ' A' ' 33' ' ' ARG . 92.5 t -70.85 -31.12 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.363 178.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.66 -33.75 76.69 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 122.236 0.214 . . . . 0.0 110.863 176.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.418 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 5.3 mm-40 -69.39 -37.71 77.65 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.122 0.569 . . . . 0.0 111.197 175.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.4 mmt -72.34 -33.75 67.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.712 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.5 mm -70.72 -41.73 77.61 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 O-C-N 123.35 0.406 . . . . 0.0 110.443 176.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.418 ' HG2' ' HA ' ' A' ' 50' ' ' GLU . 25.9 ptt180 -71.92 -22.26 61.5 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -175.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -90.71 -21.14 21.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.733 0.301 . . . . 0.0 111.225 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.79 -19.78 23.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.459 177.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.37 111.6 21.93 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.692 0.758 . . . . 0.0 110.777 -175.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.485 HD11 ' HB2' ' A' ' 70' ' ' GLN . 63.6 mt -79.68 -42.46 22.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.993 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -89.34 -12.07 41.53 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -170.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.53 57.41 8.2 Favored Glycine 0 CA--C 1.536 1.384 0 N-CA-C 114.878 0.711 . . . . 0.0 114.878 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.6 p30 -115.45 -15.99 11.44 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 117.705 0.753 . . . . 0.0 112.267 174.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.5 -6.87 49.93 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 120.83 -0.7 . . . . 0.0 114.651 -178.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.531 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 35.7 mt-30 -138.1 134.02 34.16 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.01 0.905 . . . . 0.0 111.091 177.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.4 t -89.11 105.54 16.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 CA-C-N 114.593 -1.185 . . . . 0.0 110.665 -169.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -83.12 -177.07 6.63 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 121.32 -0.152 . . . . 0.0 110.717 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.402 ' CE1' ' HG2' ' A' ' 13' ' ' ARG . 62.1 t80 -50.23 -54.24 22.45 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -176.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.21 -27.89 65.88 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 118.063 0.392 . . . . 0.0 112.011 -175.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -72.97 -34.39 66.44 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.212 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.519 ' HA ' ' HB3' ' A' ' 71' ' ' HIS . 63.6 t80 -83.95 -25.07 30.37 Favored 'General case' 0 C--O 1.209 -1.04 0 C-N-CA 123.544 0.738 . . . . 0.0 111.17 178.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.586 ' HA ' HG21 ' A' ' 12' ' ' ILE . 64.2 t -67.83 -47.77 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-N 118.454 0.57 . . . . 0.0 109.684 172.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.485 ' HB2' HD11 ' A' ' 57' ' ' ILE . 17.2 mm100 -72.4 -21.09 61.32 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 177.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.519 ' HB3' ' HA ' ' A' ' 68' ' ' PHE . 10.6 t-160 -68.25 -50.03 56.7 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.496 0.718 . . . . 0.0 109.291 168.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 57.0 mmm -75.96 -25.56 56.01 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -171.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.3 p . . . . . 0 CA--C 1.533 0.295 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 179.305 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.437 ' O ' HG12 ' A' ' 12' ' ' ILE . 5.6 t . . . . . 0 CA--C 1.543 0.707 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.38 -19.93 62.44 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.284 1.033 . . . . 0.0 113.018 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -70.85 -32.92 70.09 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.908 0.883 . . . . 0.0 111.379 178.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.32 -25.87 31.1 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.073 178.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.526 HG21 ' HA ' ' A' ' 69' ' ' VAL . 22.4 mm -66.46 -23.01 30.8 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.089 176.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.515 ' HG2' ' CE1' ' A' ' 65' ' ' TYR . 98.1 mtt180 -64.23 -38.57 91.52 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.828 0.451 . . . . 0.0 111.731 172.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 38.9 tt0 -80.18 -27.62 38.9 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.299 179.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.84 -26.45 60.59 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.006 0.431 . . . . 0.0 110.741 174.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -71.8 -38.92 70.19 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.861 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -75.92 -14.63 60.26 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -177.057 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.0 t -69.98 -49.05 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 170.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.553 ' HA ' HG21 ' A' ' 35' ' ' VAL . 53.5 m-85 -77.12 -34.77 56.69 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.277 -1.329 . . . . 0.0 111.968 -172.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -84.34 109.2 17.64 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 172.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.8 mmmp? -77.64 -27.04 50.91 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -176.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -103.86 -11.8 17.29 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -174.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.36 37.6 79.97 Favored Glycine 0 CA--C 1.531 1.034 0 CA-C-O 118.987 -0.896 . . . . 0.0 114.82 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -96.85 -18.64 19.41 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.809 1.305 . . . . 0.0 112.167 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.61 14.46 19.65 Favored Glycine 0 C--O 1.221 -0.684 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.283 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -142.3 130.06 21.61 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.546 0.738 . . . . 0.0 110.747 176.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 53.5 mt -97.42 114.63 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 175.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.4 p -90.61 178.49 6.07 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 178.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.42 ' O ' HG11 ' A' ' 48' ' ' VAL . . . -67.27 -27.5 67.25 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.388 177.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.42 -28.97 52.75 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 122.16 -0.338 . . . . 0.0 111.494 177.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.43 -44.33 25.05 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.552 HD23 HG13 ' A' ' 48' ' ' VAL . 38.2 tp -67.36 -35.64 79.77 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.346 0.404 . . . . 0.0 110.481 177.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.4 ttt-85 -59.47 -44.16 93.07 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.579 0.752 . . . . 0.0 111.59 177.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -65.88 -43.9 86.95 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 123.685 0.615 . . . . 0.0 111.394 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.553 HG21 ' HA ' ' A' ' 19' ' ' PHE . 37.0 t -79.76 -31.26 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 O-C-N 123.179 0.299 . . . . 0.0 111.571 -172.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.1 mmt -64.64 -44.01 91.85 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.688 0.28 . . . . 0.0 111.25 173.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' A' ' 42' ' ' LYS . 62.9 m -65.26 -32.29 73.88 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.153 175.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -69.55 -33.29 72.55 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.306 0.642 . . . . 0.0 111.678 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.8 mt -81.17 -12.4 59.21 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.57 -1.95 53.15 Favored Glycine 0 C--N 1.336 0.558 0 C-N-CA 121.335 -0.459 . . . . 0.0 112.879 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -82.25 -20.78 36.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 119.421 -0.323 . . . . 0.0 111.7 -178.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 37' ' ' THR . 54.8 pttt 38.71 69.66 0.25 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 126.385 1.874 . . . . 0.0 114.356 177.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.498 ' HG ' ' HB2' ' A' ' 47' ' ' GLU . 6.4 tp -85.29 124.78 32.31 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.491 -1.232 . . . . 0.0 109.04 -176.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.4 p -81.11 175.07 10.97 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.263 0.352 . . . . 0.0 110.915 -177.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -56.65 -38.82 72.68 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -173.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -75.27 -36.0 61.26 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 122.578 0.351 . . . . 0.0 111.15 -177.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.498 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 16.7 mm-40 -73.48 -37.64 65.69 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.787 -178.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.552 HG13 HD23 ' A' ' 32' ' ' LEU . 70.3 t -66.41 -39.49 84.2 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.51 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.614 176.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -56.48 -42.02 77.56 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 123.815 0.697 . . . . 0.0 112.235 178.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.425 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 40.8 mt-10 -77.04 -26.67 53.93 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.815 -178.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 97.8 mmm -76.68 -33.2 58.27 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 117.381 0.082 . . . . 0.0 111.048 173.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.7 mm -65.24 -48.1 84.79 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 O-C-N 123.775 0.672 . . . . 0.0 110.658 176.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.425 ' HG2' ' HA ' ' A' ' 50' ' ' GLU . 16.3 ptm180 -71.72 -23.05 61.56 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -176.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -78.85 -31.19 45.53 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.493 0.317 . . . . 0.0 111.402 175.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.52 -18.89 34.27 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.023 0.44 . . . . 0.0 111.591 177.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -90.82 119.47 31.06 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.738 0.78 . . . . 0.0 110.815 -173.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.4 mt -79.81 -45.37 23.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.307 -177.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 p30 -88.76 -11.48 44.89 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -168.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.99 53.91 10.14 Favored Glycine 0 CA--C 1.535 1.338 0 N-CA-C 114.813 0.685 . . . . 0.0 114.813 -178.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.3 p30 -112.9 -16.2 12.75 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 117.717 0.758 . . . . 0.0 112.009 175.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.48 2.28 67.95 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-O 119.698 -0.501 . . . . 0.0 113.961 -178.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -132.25 130.58 41.12 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 117.832 0.816 . . . . 0.0 109.156 174.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.4 t -96.61 105.46 17.12 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.252 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.427 -170.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.9 p30 -77.18 -171.1 1.92 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 121.112 -0.235 . . . . 0.0 111.283 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.515 ' CE1' ' HG2' ' A' ' 13' ' ' ARG . 62.1 t80 -60.6 -50.36 73.82 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.03 -25.22 61.72 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -175.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -75.32 -33.97 61.2 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.987 0.515 . . . . 0.0 110.763 177.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -74.45 -41.85 60.1 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.934 177.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.526 ' HA ' HG21 ' A' ' 12' ' ' ILE . 79.5 t -62.98 -41.74 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 O-C-N 123.674 0.608 . . . . 0.0 110.97 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -66.7 -33.81 76.46 Favored 'General case' 0 C--O 1.22 -0.498 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -71.73 -32.23 67.52 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 123.657 0.598 . . . . 0.0 110.992 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 76.6 mmm -75.94 -28.5 57.97 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 178.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 73.0 p . . . . . 0 CA--C 1.535 0.382 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.542 179.724 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.669 0.271 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -100.26 -53.7 3.06 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 174.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 32.5 ttp -150.25 134.99 17.54 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.489 -177.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -93.55 138.77 31.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.671 170.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -85.38 87.94 7.45 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.052 0.453 . . . . 0.0 110.043 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.467 HG21 HG22 ' A' ' 73' ' ' THR . 20.5 m -79.07 112.4 16.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.143 -176.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -96.13 84.54 3.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.679 -174.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.2 p 53.26 -161.32 0.12 Allowed 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 125.638 1.575 . . . . 0.0 113.003 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -78.81 -14.0 59.5 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 173.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.42 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 35.2 mt-10 -71.42 -33.62 69.58 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -175.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -70.48 -30.17 66.9 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 173.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.588 HG21 ' HA ' ' A' ' 69' ' ' VAL . 25.0 mm -79.36 -24.75 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.655 -179.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.42 ' HD2' ' HA ' ' A' ' 10' ' ' GLU . 98.8 mtt180 -67.99 -40.43 83.07 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.1 0.476 . . . . 0.0 110.679 173.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.486 ' HG3' HH21 ' A' ' 17' ' ' ARG . 39.8 tt0 -71.34 -37.33 71.71 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.884 176.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.31 84.86 Favored 'General case' 0 C--O 1.224 -0.28 0 O-C-N 123.116 0.26 . . . . 0.0 111.202 176.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -64.73 -36.1 83.21 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.436 0.694 . . . . 0.0 111.921 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.486 HH21 ' HG3' ' A' ' 14' ' ' GLU . 0.3 OUTLIER -80.16 -15.0 58.02 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -177.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 t -79.54 -49.97 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.716 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 170.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.549 ' HA ' HG21 ' A' ' 35' ' ' VAL . 31.9 m-85 -67.78 -26.23 66.0 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.204 -1.362 . . . . 0.0 112.354 -173.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -95.15 102.43 14.23 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.503 0.668 . . . . 0.0 109.309 168.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.11 -29.33 48.9 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 -179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -93.93 -12.08 29.57 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -173.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.22 38.68 58.85 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-O 119.223 -0.765 . . . . 0.0 114.897 177.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -101.58 -18.08 16.08 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.744 1.272 . . . . 0.0 112.043 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.19 14.2 42.9 Favored Glycine 0 C--O 1.223 -0.538 0 C-N-CA 121.091 -0.576 . . . . 0.0 113.015 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.564 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 74.8 m-85 -137.75 130.21 29.5 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.638 0.775 . . . . 0.0 109.402 176.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.0 mt -95.15 111.31 25.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.305 0.574 . . . . 0.0 109.587 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.8 m -90.56 174.87 7.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.256 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.08 -28.43 68.18 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.28 -31.43 69.93 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.9 0.381 . . . . 0.0 111.667 177.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -83.74 -43.62 15.29 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.557 -175.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.4 tp -63.89 -39.0 93.17 Favored 'General case' 0 C--O 1.223 -0.325 0 O-C-N 123.652 0.595 . . . . 0.0 110.64 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -61.57 -45.52 93.78 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 123.71 0.804 . . . . 0.0 111.23 176.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -65.42 -42.96 91.96 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 124.068 0.855 . . . . 0.0 111.14 -176.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.549 HG21 ' HA ' ' A' ' 19' ' ' PHE . 57.9 t -75.13 -29.54 21.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 O-C-N 123.388 0.43 . . . . 0.0 111.481 -176.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.8 mmt -64.94 -38.45 91.0 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 117.691 0.223 . . . . 0.0 110.983 172.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.8 m -69.17 -30.71 68.98 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 123.624 0.578 . . . . 0.0 110.602 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -73.91 -18.48 60.9 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.764 174.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 87.2 mt -88.67 -14.47 37.28 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 120.816 0.341 . . . . 0.0 110.654 175.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.59 -0.5 24.77 Favored Glycine 0 C--N 1.338 0.671 0 CA-C-N 116.136 -0.484 . . . . 0.0 113.468 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -113.5 133.07 55.43 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-O 121.428 0.632 . . . . 0.0 109.936 -174.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -103.94 105.03 15.09 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -175.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.421 ' HG ' ' HB2' ' A' ' 47' ' ' GLU . 3.3 tp -106.29 132.57 52.18 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.667 -174.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.0 p -81.44 175.86 10.19 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.715 -176.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -55.8 -45.19 78.32 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.296 1.038 . . . . 0.0 112.043 -176.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.492 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 8.7 mp0 -70.22 -39.02 75.34 Favored 'General case' 0 C--O 1.223 -0.342 0 O-C-N 123.976 0.798 . . . . 0.0 111.586 -177.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.421 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 50.9 mt-10 -71.58 -37.32 71.03 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.382 0.426 . . . . 0.0 112.072 -176.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.3 t -71.62 -35.77 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.51 -36.46 84.28 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 123.445 0.466 . . . . 0.0 110.987 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 24.0 mm-40 -61.82 -38.72 89.21 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.631 0.582 . . . . 0.0 111.415 173.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 57.2 mtp -77.51 -29.89 52.71 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.152 0.426 . . . . 0.0 112.152 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.3 mm -69.23 -45.66 78.95 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -72.79 -21.75 60.94 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 120.764 0.316 . . . . 0.0 111.455 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.424 ' HG2' ' CE1' ' A' ' 71' ' ' HIS . 28.3 tt0 -74.38 -40.27 62.17 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.889 0.876 . . . . 0.0 110.809 175.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.95 -29.7 21.86 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -174.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -82.2 118.53 23.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.178 0.513 . . . . 0.0 110.481 -174.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.469 HD11 ' HB2' ' A' ' 70' ' ' GLN . 90.5 mt -78.3 -40.3 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.307 -174.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.3 p30 -90.89 -12.24 36.74 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -172.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.73 45.02 55.18 Favored Glycine 0 CA--C 1.539 1.56 0 N-CA-C 114.742 0.657 . . . . 0.0 114.742 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.7 p30 -102.05 -15.13 16.86 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 117.734 0.767 . . . . 0.0 111.156 175.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.45 -6.99 59.55 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-N 116.244 -0.435 . . . . 0.0 113.854 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.564 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 27.6 mt-30 -131.96 131.31 42.51 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-O 121.894 0.854 . . . . 0.0 110.471 178.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.92 101.44 12.11 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.281 -167.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -85.49 -169.85 2.84 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.89 176.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -57.22 -57.41 12.71 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -164.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.74 -34.7 76.28 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -177.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.426 ' HA ' HD12 ' A' ' 57' ' ' ILE . 44.7 mt-10 -69.08 -36.92 78.14 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 123.787 0.835 . . . . 0.0 111.17 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -74.03 -39.59 63.45 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.551 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.588 ' HA ' HG21 ' A' ' 12' ' ' ILE . 74.1 t -66.58 -49.21 76.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-O 119.094 -0.479 . . . . 0.0 111.758 -176.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.469 ' HB2' HD11 ' A' ' 57' ' ' ILE . 78.8 mm-40 -61.34 -36.09 79.22 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.677 0.611 . . . . 0.0 111.847 -177.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.424 ' CE1' ' HG2' ' A' ' 54' ' ' GLU . 61.4 t60 -74.83 -43.15 56.12 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 123.696 0.623 . . . . 0.0 111.22 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 53.4 mmm -67.29 -42.47 83.72 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -176.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.467 HG22 HG21 ' A' ' 6' ' ' THR . 47.5 p -80.36 -28.4 38.02 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -173.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.23 -15.55 37.86 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.9 tttm . . . . . 0 N--CA 1.463 0.221 0 CA-C-O 120.756 0.313 . . . . 0.0 110.371 -177.726 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.473 0.711 0 CA-C-O 121.583 0.706 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 37.1 tp -100.92 112.45 24.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.607 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -150.01 157.81 43.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.092 0.472 . . . . 0.0 111.237 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -107.57 163.01 13.43 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.133 -0.94 . . . . 0.0 108.465 168.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -66.49 -38.52 87.46 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.2 m 66.32 92.24 0.08 Allowed 'General case' 0 N--CA 1.47 0.528 0 O-C-N 124.697 1.248 . . . . 0.0 110.735 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.577 ' H ' ' HB2' ' A' ' 11' ' ' GLU . 19.2 m-20 -113.52 -112.76 0.34 Allowed 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.034 -1.439 . . . . 0.0 110.596 -171.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.458 ' O ' HG12 ' A' ' 12' ' ' ILE . 10.8 p -148.16 -96.22 0.08 Allowed 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 176.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -78.2 -25.04 46.92 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.384 0.674 . . . . 0.0 110.656 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -71.98 -26.14 62.13 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.136 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.577 ' HB2' ' H ' ' A' ' 7' ' ' ASP . 62.9 tt0 -82.95 -23.18 33.55 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.18 176.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.552 HG21 ' HA ' ' A' ' 69' ' ' VAL . 16.9 mm -73.55 -22.71 19.06 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.642 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -60.82 -41.72 96.29 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.811 0.444 . . . . 0.0 111.345 171.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -66.23 -41.29 90.25 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.034 0.934 . . . . 0.0 111.121 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.55 -32.46 68.15 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.413 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -71.46 -41.21 69.7 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 122.965 0.506 . . . . 0.0 111.153 -177.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -74.38 -24.87 59.2 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 123.318 0.386 . . . . 0.0 111.914 -175.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 p -88.22 -20.13 7.48 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 CA-C-O 120.668 0.27 . . . . 0.0 110.726 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -86.4 -35.02 19.99 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.48 176.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -80.36 106.43 12.36 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 173.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 69.5 mmtt -78.25 -28.45 47.75 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -177.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -96.81 -11.41 24.93 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -174.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.96 46.54 72.51 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 114.778 0.671 . . . . 0.0 114.778 177.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 -103.29 -11.84 17.67 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.327 1.064 . . . . 0.0 111.645 177.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.0 23.26 25.65 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 121.407 -0.425 . . . . 0.0 112.349 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.57 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 65.1 m-85 -148.72 130.51 15.11 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 124.119 0.968 . . . . 0.0 109.56 -177.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.2 mt -101.09 103.2 14.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 173.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.419 ' HB3' ' HG2' ' A' ' 62' ' ' GLN . 73.9 p -81.86 177.46 8.86 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 120.802 0.334 . . . . 0.0 110.711 178.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.532 ' HA ' HG13 ' A' ' 52' ' ' ILE . . . -70.34 -27.44 64.36 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.695 179.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.89 -29.88 63.51 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 120.629 0.252 . . . . 0.0 111.193 176.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -75.57 -45.57 37.04 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.895 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.1 tp -67.51 -32.8 73.86 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 123.377 0.423 . . . . 0.0 110.801 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.51 ' HA ' HG21 ' A' ' 48' ' ' VAL . 68.1 ttt180 -66.22 -36.12 82.21 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.029 0.532 . . . . 0.0 110.612 176.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -72.03 -39.18 69.33 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.572 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 99.6 t -68.38 -36.48 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 122.519 0.327 . . . . 0.0 111.016 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.4 mmt -68.82 -41.1 79.07 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 53.8 m -66.05 -36.76 84.09 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 120.937 0.399 . . . . 0.0 110.516 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -63.86 -44.52 92.85 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.225 1.01 . . . . 0.0 111.984 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -76.71 -4.12 41.63 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.333 0.653 . . . . 0.0 112.582 -176.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.27 -3.36 72.49 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.413 -0.422 . . . . 0.0 112.896 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -71.64 -37.9 70.79 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.097 0.559 . . . . 0.0 110.918 -174.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mttm 58.67 42.14 20.87 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 124.551 1.157 . . . . 0.0 111.516 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.4 tp -69.25 132.33 46.3 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.053 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.4 p -76.93 167.98 20.89 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.656 0.597 . . . . 0.0 111.655 -169.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.48 -36.67 74.1 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.49 0.716 . . . . 0.0 111.703 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 34.5 mt-10 -68.43 -48.56 64.28 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.036 178.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -67.91 -35.23 78.1 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.135 0.574 . . . . 0.0 112.299 -177.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.51 HG21 ' HA ' ' A' ' 33' ' ' ARG . 53.0 t -69.23 -39.77 79.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 122.762 0.425 . . . . 0.0 110.645 177.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -63.7 -34.71 78.47 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 123.438 0.461 . . . . 0.0 110.934 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 14.0 mm-40 -62.53 -41.11 98.65 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.638 0.586 . . . . 0.0 111.226 175.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 97.8 mmm -72.69 -33.83 66.76 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.361 0.413 . . . . 0.0 111.675 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.532 HG13 ' HA ' ' A' ' 29' ' ' ALA . 27.7 mm -68.34 -47.95 75.37 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.13 0 O-C-N 123.537 0.523 . . . . 0.0 110.774 177.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.1 ptt85 -70.95 -21.68 62.3 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -78.72 -33.76 46.49 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.034 0.934 . . . . 0.0 110.915 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.31 -28.66 22.13 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.671 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -83.91 124.58 31.15 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.568 -174.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 79.5 mt -80.2 -43.32 22.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 114.308 -1.315 . . . . 0.0 111.204 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -91.55 -11.43 37.33 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -170.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.52 48.91 33.83 Favored Glycine 0 CA--C 1.535 1.306 0 N-CA-C 114.559 0.584 . . . . 0.0 114.559 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.9 p30 -105.73 -16.01 14.8 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 117.747 0.774 . . . . 0.0 112.406 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.86 -7.8 57.57 Favored Glycine 0 CA--C 1.524 0.628 0 C-N-CA 121.018 -0.61 . . . . 0.0 113.928 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.57 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 32.2 mt-30 -131.22 131.29 43.84 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-O 122.169 0.985 . . . . 0.0 111.06 175.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.2 t -101.6 101.57 12.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 CA-C-N 113.619 -1.628 . . . . 0.0 108.638 -172.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -83.62 -172.0 3.9 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 119.083 -0.484 . . . . 0.0 111.132 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.402 ' O ' HG23 ' A' ' 69' ' ' VAL . 67.7 t80 -55.43 -58.62 6.98 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -165.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.496 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 1.6 pm0 -58.98 -40.96 86.38 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.808 0.843 . . . . 0.0 112.645 -178.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.84 -39.0 90.37 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.849 0.86 . . . . 0.0 111.777 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -73.57 -34.12 64.98 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.488 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.552 ' HA ' HG21 ' A' ' 12' ' ' ILE . 69.9 t -65.36 -43.98 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-O 119.212 -0.423 . . . . 0.0 110.641 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 82.1 mm-40 -61.99 -39.47 92.33 Favored 'General case' 0 C--O 1.22 -0.47 0 O-C-N 123.635 0.584 . . . . 0.0 111.908 -174.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -81.06 -31.18 34.57 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 123.211 0.32 . . . . 0.0 111.395 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 51.5 mmm -82.51 -7.91 59.63 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.0 p -117.56 -9.12 10.87 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -115.41 4.52 14.35 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.2 tttt . . . . . 0 N--CA 1.473 0.703 0 O-C-N 124.581 1.176 . . . . 0.0 111.452 179.369 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.2 p . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 110.541 -0.17 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.4 mp -78.43 120.84 23.74 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.139 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -108.7 145.52 34.93 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.007 -175.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -127.26 164.49 21.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.076 173.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -84.87 162.94 19.31 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 121.111 0.481 . . . . 0.0 111.196 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.439 HG22 ' OE1' ' A' ' 11' ' ' GLU . 40.9 p -89.1 94.01 9.79 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.143 -169.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -145.16 -57.44 0.33 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.808 -178.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.464 ' O ' HG12 ' A' ' 12' ' ' ILE . 50.6 m -81.87 157.89 24.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.144 0.497 . . . . 0.0 112.125 -176.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 1.8 mp0 -71.24 -24.13 62.13 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 114.54 -1.209 . . . . 0.0 111.723 -173.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -65.34 -37.43 87.05 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.493 0.717 . . . . 0.0 111.38 174.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.439 ' OE1' HG22 ' A' ' 6' ' ' THR . 13.8 tm-20 -70.75 -35.28 72.58 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 176.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.56 HG21 ' HA ' ' A' ' 69' ' ' VAL . 27.1 mm -68.65 -27.92 38.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.895 -178.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 95.9 mtt180 -68.39 -37.98 80.88 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.733 0.413 . . . . 0.0 111.251 173.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -70.63 -36.69 73.59 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.636 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.32 -42.36 83.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.799 174.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -60.53 -36.87 79.45 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.936 0.894 . . . . 0.0 112.421 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.68 -16.02 58.78 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -175.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -79.67 -44.09 23.26 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 171.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.511 ' HA ' HG21 ' A' ' 35' ' ' VAL . 41.7 m-85 -72.13 -31.25 65.83 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 114.561 -1.199 . . . . 0.0 112.423 -171.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -92.26 109.29 20.67 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 169.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.614 ' HE2' HG22 ' A' ' 35' ' ' VAL . 55.3 mttm -78.22 -27.0 47.63 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -99.22 -11.63 21.14 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -175.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.6 37.16 84.67 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-O 119.324 -0.709 . . . . 0.0 114.802 176.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -95.42 -18.9 20.33 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.407 1.103 . . . . 0.0 111.525 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.443 ' O ' ' HA ' ' A' ' 64' ' ' ASN . . . 105.17 6.59 39.15 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.856 -0.688 . . . . 0.0 113.042 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.442 ' CE1' ' HB3' ' A' ' 64' ' ' ASN . 73.2 m-85 -136.74 130.6 32.24 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 122.809 0.443 . . . . 0.0 110.326 177.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.4 mt -101.81 104.01 15.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.7 m -79.89 177.31 9.0 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.073 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.95 -25.8 62.89 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -176.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.81 -30.64 35.84 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 122.197 -0.314 . . . . 0.0 111.225 174.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 35' ' ' VAL . 41.6 mt-10 -71.0 -51.15 27.15 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 122.628 0.371 . . . . 0.0 111.532 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.508 HD23 HG13 ' A' ' 48' ' ' VAL . 30.2 tp -62.51 -37.09 84.7 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 124.199 0.937 . . . . 0.0 110.544 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.496 ' HA ' HG21 ' A' ' 48' ' ' VAL . 18.1 ttp85 -61.16 -43.18 99.28 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 124.01 0.819 . . . . 0.0 112.418 176.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.465 ' CD2' ' HE3' ' A' ' 21' ' ' LYS . 2.7 t60 -67.84 -39.8 83.79 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 124.075 0.859 . . . . 0.0 109.94 -175.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.614 HG22 ' HE2' ' A' ' 21' ' ' LYS . 21.6 t -75.07 -33.03 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 O-C-N 123.555 0.534 . . . . 0.0 111.262 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.421 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 21.1 mmt -61.51 -38.6 87.94 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 120.796 0.331 . . . . 0.0 111.091 174.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.406 HG23 ' HG2' ' A' ' 42' ' ' LYS . 90.2 m -65.18 -36.57 84.63 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.453 174.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -72.26 -28.54 63.2 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.041 0.537 . . . . 0.0 111.911 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 61.1 mt -79.36 -6.97 57.97 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.153 0.581 . . . . 0.0 111.435 177.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.56 -2.49 80.56 Favored Glycine 0 C--N 1.336 0.567 0 CA-C-N 116.329 -0.396 . . . . 0.0 112.993 177.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -79.97 -39.49 30.02 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 122.214 0.205 . . . . 0.0 110.736 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.406 ' HG2' HG23 ' A' ' 37' ' ' THR . 96.0 mttt 56.94 64.81 1.54 Allowed 'General case' 0 N--CA 1.472 0.651 0 O-C-N 124.928 1.393 . . . . 0.0 112.631 172.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.457 ' HB3' HG23 ' A' ' 48' ' ' VAL . 3.9 mp -80.75 138.43 36.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.765 176.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.4 p -75.33 168.86 19.19 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 123.352 0.407 . . . . 0.0 110.127 177.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -61.5 -34.72 75.97 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -173.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -74.8 -35.32 62.48 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -68.81 -39.98 79.78 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.91 0.386 . . . . 0.0 111.218 176.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.508 HG13 HD23 ' A' ' 32' ' ' LEU . 89.2 t -67.54 -34.93 71.37 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.39 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.376 176.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -66.66 -28.51 68.52 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 122.489 0.316 . . . . 0.0 111.32 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.66 -39.04 80.83 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.021 0.529 . . . . 0.0 110.925 172.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 98.2 mmm -72.67 -29.65 63.6 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.752 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 48' ' ' VAL . 28.7 mm -67.96 -50.6 57.78 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 C-N-CA 123.509 0.724 . . . . 0.0 110.729 176.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -69.56 -21.53 63.62 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.35 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.55 -39.89 44.33 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 120.979 0.419 . . . . 0.0 110.444 175.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.14 -28.84 31.96 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.07 121.88 26.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.331 0.586 . . . . 0.0 111.548 -172.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.481 HD11 ' HG3' ' A' ' 70' ' ' GLN . 83.9 mt -79.79 -47.75 21.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.718 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -89.98 -11.7 40.87 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -167.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.58 54.72 9.65 Favored Glycine 0 CA--C 1.534 1.245 0 N-CA-C 114.596 0.599 . . . . 0.0 114.596 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.3 p30 -111.48 -15.33 13.56 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 117.227 0.513 . . . . 0.0 111.533 173.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.03 6.42 69.37 Favored Glycine 0 CA--C 1.528 0.867 0 CA-C-N 116.026 -0.534 . . . . 0.0 113.585 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.418 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 3.6 mt-30 -134.36 130.66 37.24 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 176.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.7 t -97.69 110.06 24.71 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.16 -169.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.443 ' HA ' ' O ' ' A' ' 25' ' ' GLY . 28.4 p30 -78.79 -170.68 2.24 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.733 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -60.65 -53.08 61.75 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 8.1 pt-20 -70.93 -30.95 67.41 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -175.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -66.62 -36.6 82.97 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.133 0.573 . . . . 0.0 110.967 176.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -72.12 -39.63 68.72 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.703 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.56 ' HA ' HG21 ' A' ' 12' ' ' ILE . 71.1 t -63.95 -41.27 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 123.579 0.55 . . . . 0.0 111.072 -178.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.481 ' HG3' HD11 ' A' ' 57' ' ' ILE . 86.2 mm-40 -62.61 -38.83 91.73 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -74.95 -33.57 61.95 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 120.665 0.269 . . . . 0.0 111.228 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.518 ' HB3' HD12 ' A' ' 12' ' ' ILE . 78.4 mmm -84.54 -13.07 52.88 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -174.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.5 p -108.16 -34.52 6.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.506 0.193 . . . . 0.0 111.345 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -104.79 107.07 17.83 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.6 tttt . . . . . 0 N--CA 1.472 0.644 0 O-C-N 124.682 1.239 . . . . 0.0 111.392 -177.351 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.1 m . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 tt 67.45 -79.22 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.048 1.739 . . . . 0.0 111.109 -177.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 92.2 mtp -77.6 -55.88 4.99 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 122.776 0.43 . . . . 0.0 111.006 -175.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.5 tptt 57.72 73.67 0.46 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.863 1.352 . . . . 0.0 109.669 -171.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -70.42 133.43 46.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.5 -1.227 . . . . 0.0 109.212 177.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.8 p -81.81 92.37 6.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.128 0.966 . . . . 0.0 109.846 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.524 ' H ' ' HG3' ' A' ' 11' ' ' GLU . 17.3 t70 -65.5 -51.02 63.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.082 -1.417 . . . . 0.0 111.097 -177.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 t -157.37 -168.83 2.71 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -176.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.518 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 15.5 pt-20 -69.56 -21.68 63.61 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 123.418 0.449 . . . . 0.0 110.941 174.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -58.12 -42.02 84.89 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 124.399 1.08 . . . . 0.0 111.76 175.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.524 ' HG3' ' H ' ' A' ' 7' ' ' ASP . 7.1 mm-40 -65.93 -28.95 69.3 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.569 0.748 . . . . 0.0 112.022 177.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.601 HG21 ' HA ' ' A' ' 69' ' ' VAL . 17.1 mm -85.14 -22.56 7.51 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.607 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.876 -174.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 18.9 mtp180 -65.4 -39.61 92.41 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.902 0.481 . . . . 0.0 111.258 178.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -79.97 -25.22 40.45 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.068 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.413 ' O ' ' HD2' ' A' ' 19' ' ' PHE . . . -78.81 -30.03 45.14 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 122.165 -0.334 . . . . 0.0 111.043 176.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -65.94 -37.29 85.65 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.792 0.837 . . . . 0.0 111.718 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -76.89 -15.62 59.64 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 -175.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -84.67 -32.82 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 176.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.413 ' HD2' ' O ' ' A' ' 15' ' ' ALA . 37.3 m-85 -82.1 -27.64 32.73 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.513 -177.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -84.66 110.01 18.43 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 170.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.503 ' HE2' ' HA ' ' A' ' 21' ' ' LYS . 5.0 mmpt? -73.82 -24.07 59.75 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -176.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -113.16 -11.76 13.24 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -172.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.25 46.12 58.66 Favored Glycine 0 CA--C 1.533 1.212 0 CA-C-O 119.415 -0.658 . . . . 0.0 114.499 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 -102.9 -13.32 16.99 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 118.318 1.059 . . . . 0.0 112.011 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.63 19.55 26.99 Favored Glycine 0 C--O 1.223 -0.541 0 C-N-CA 121.157 -0.544 . . . . 0.0 112.378 -178.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.438 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 72.3 m-85 -144.7 130.1 18.81 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 123.653 0.781 . . . . 0.0 109.962 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.9 mt -102.34 104.22 16.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 175.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.2 p -85.31 177.28 7.88 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.875 0.369 . . . . 0.0 110.596 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 33' ' ' ARG . . . -72.54 -21.69 61.13 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.865 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.34 -33.9 48.84 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 120.592 0.234 . . . . 0.0 110.598 175.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -73.59 -48.55 31.94 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.126 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.527 HD23 HG13 ' A' ' 48' ' ' VAL . 33.4 tp -66.19 -31.44 72.28 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.796 0.685 . . . . 0.0 110.94 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.42 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 7.7 ttp180 -63.91 -44.47 92.85 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.607 0.567 . . . . 0.0 110.559 175.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -69.71 -36.59 76.03 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.244 -176.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.425 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 95.6 t -67.13 -43.99 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 123.428 0.455 . . . . 0.0 110.999 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.531 ' HG3' HD22 ' A' ' 43' ' ' LEU . 25.3 mmt -69.54 -34.07 73.69 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.43 HG23 ' HG2' ' A' ' 42' ' ' LYS . 61.8 m -71.62 -33.92 69.38 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.96 176.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -64.65 -35.91 82.56 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.488 0.715 . . . . 0.0 111.205 173.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 82.3 mt -74.91 -6.5 49.52 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.826 177.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.14 1.23 82.11 Favored Glycine 0 C--N 1.34 0.765 0 CA-C-N 116.587 -0.279 . . . . 0.0 112.982 175.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -83.92 -36.63 23.17 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.43 ' HG2' HG23 ' A' ' 37' ' ' THR . 1.2 tmtp? 61.38 84.87 0.13 Allowed 'General case' 0 C--N 1.343 0.303 0 O-C-N 125.389 1.681 . . . . 0.0 109.975 177.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.531 HD22 ' HG3' ' A' ' 36' ' ' MET . 1.2 tp -87.36 129.13 35.14 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 174.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.8 p -78.53 170.73 16.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 123.378 0.424 . . . . 0.0 110.688 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.95 -31.09 70.65 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -75.08 -44.99 44.31 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.168 0.587 . . . . 0.0 111.424 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.438 ' HB3' ' HG ' ' A' ' 43' ' ' LEU . 11.8 mm-40 -62.55 -37.29 85.57 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.496 0.719 . . . . 0.0 112.077 177.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.527 HG13 HD23 ' A' ' 32' ' ' LEU . 85.9 t -70.87 -39.51 75.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.51 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.821 177.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -62.12 -38.1 87.65 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 122.795 0.438 . . . . 0.0 111.962 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -67.93 -25.89 65.69 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.047 0.539 . . . . 0.0 112.28 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 96.8 mmm -82.29 -40.12 21.96 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 122.467 0.307 . . . . 0.0 111.189 174.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 24.5 mm -64.31 -43.83 97.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 O-C-N 124.068 0.855 . . . . 0.0 111.325 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.501 ' HG3' ' HG3' ' A' ' 54' ' ' GLU . 25.0 ptt180 -63.46 -31.64 72.86 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 123.423 0.452 . . . . 0.0 112.106 -178.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.501 ' HG3' ' HG3' ' A' ' 53' ' ' ARG . 44.3 mt-10 -94.06 -13.9 26.38 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.007 0.523 . . . . 0.0 111.931 -175.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.92 -29.3 16.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.691 0.281 . . . . 0.0 110.485 174.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.76 114.85 22.36 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.709 -178.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.3 mt -80.2 -48.37 20.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 114.489 -1.232 . . . . 0.0 110.497 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -82.06 -11.94 58.53 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -168.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.92 47.61 38.01 Favored Glycine 0 CA--C 1.532 1.14 0 N-CA-C 115.23 0.852 . . . . 0.0 115.23 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.8 p30 -104.82 -16.4 14.92 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 118.31 1.055 . . . . 0.0 110.943 172.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.07 -6.59 62.0 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 114.516 0.566 . . . . 0.0 114.516 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.438 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 36.1 mt-30 -129.26 131.45 47.01 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-O 121.919 0.866 . . . . 0.0 110.085 177.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 44.7 t -89.73 102.47 13.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 CA-C-N 114.528 -1.214 . . . . 0.0 110.745 -168.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.74 -175.33 5.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.664 177.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.415 ' O ' HG23 ' A' ' 69' ' ' VAL . 62.4 t80 -57.77 -55.63 32.37 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -166.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -59.75 -33.55 71.82 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.792 0.837 . . . . 0.0 112.604 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -71.44 -38.5 71.34 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 123.785 0.834 . . . . 0.0 111.615 -178.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -72.96 -36.38 67.12 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.533 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.601 ' HA ' HG21 ' A' ' 12' ' ' ILE . 92.3 t -63.93 -44.07 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 122.649 0.38 . . . . 0.0 111.119 178.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -64.16 -32.75 74.44 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -80.39 -31.55 37.72 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 120.719 0.295 . . . . 0.0 111.043 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 69.1 mmm -82.59 -24.88 33.71 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -176.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.2 p -91.81 -33.12 15.1 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.456 0.169 . . . . 0.0 111.456 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.21 -86.74 0.23 Allowed 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -178.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' A' ' 75' ' ' LYS . 42.7 mtmt . . . . . 0 C--N 1.313 -0.984 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.782 -173.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.47 0.572 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 38.5 tp -113.39 -36.43 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 175.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.6 mmt -90.11 -165.15 1.28 Allowed 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.893 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -73.46 -44.01 59.01 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 119.579 -0.248 . . . . 0.0 110.8 175.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 74.93 -23.19 0.24 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 125.637 1.575 . . . . 0.0 113.787 174.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.6 m -73.41 -40.78 64.0 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.759 0.424 . . . . 0.0 110.571 178.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -98.36 25.39 6.32 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.69 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.1 t -88.29 -177.15 5.6 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.427 -177.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.476 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 25.9 mt-10 -69.32 -16.29 63.51 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.042 0.937 . . . . 0.0 111.674 -177.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -65.96 -36.99 84.84 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.566 0.746 . . . . 0.0 112.119 175.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -69.17 -34.09 74.41 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.119 0.568 . . . . 0.0 110.325 175.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.618 HG21 ' HA ' ' A' ' 69' ' ' VAL . 14.2 mm -74.77 -22.66 17.38 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 CA-C-N 114.843 -1.071 . . . . 0.0 111.016 -176.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 81.4 mtp180 -63.77 -40.94 97.92 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.85 0.46 . . . . 0.0 111.318 173.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -81.47 -25.98 35.61 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.896 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.65 -24.01 60.99 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.848 0.356 . . . . 0.0 110.823 174.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -70.7 -25.16 62.83 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.59 175.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -78.22 -24.69 46.9 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.243 -177.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -79.25 -38.29 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-O 121.146 0.498 . . . . 0.0 109.768 177.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -83.96 -30.61 26.1 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.478 -174.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -86.88 109.94 19.65 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 174.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -77.52 -28.54 52.05 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -178.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -102.13 -11.92 18.46 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -175.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.97 42.61 84.92 Favored Glycine 0 CA--C 1.535 1.294 0 N-CA-C 114.925 0.73 . . . . 0.0 114.925 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -104.01 -13.77 16.19 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 118.438 1.119 . . . . 0.0 113.051 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.71 18.07 24.09 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.274 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -144.05 130.69 20.13 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 123.75 0.82 . . . . 0.0 109.945 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.9 mt -102.74 104.1 16.04 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 172.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.6 m -80.39 173.86 12.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.078 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.0 -37.06 81.01 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.627 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.47 -29.59 69.74 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -75.55 -49.91 17.22 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 122.648 0.379 . . . . 0.0 111.628 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.415 ' O ' ' HG2' ' A' ' 36' ' ' MET . 23.9 tp -64.41 -37.14 86.48 Favored 'General case' 0 C--O 1.221 -0.44 0 O-C-N 123.919 0.762 . . . . 0.0 110.646 -178.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.7 ttp85 -62.61 -44.25 96.78 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.876 0.735 . . . . 0.0 111.02 177.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -63.44 -41.82 98.67 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 124.596 1.185 . . . . 0.0 109.952 -177.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.33 -46.28 87.46 Favored 'Isoleucine or valine' 0 C--N 1.346 0.414 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.081 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.415 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 24.2 mmt -61.1 -39.53 90.33 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -178.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.575 ' HA ' ' HA ' ' A' ' 42' ' ' LYS . 29.1 m -70.24 -30.85 68.02 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 122.894 0.478 . . . . 0.0 111.486 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.42 -28.32 52.58 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 176.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.2 mt -73.87 -17.58 61.03 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.165 0.586 . . . . 0.0 111.407 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.81 -2.74 58.58 Favored Glycine 0 CA--C 1.505 -0.58 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.567 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -72.9 -36.1 67.22 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.575 ' HA ' ' HA ' ' A' ' 37' ' ' THR . 44.8 tttp 54.21 68.51 0.84 Allowed 'General case' 0 C--N 1.352 0.685 0 O-C-N 125.266 1.604 . . . . 0.0 110.634 174.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.471 HD23 HG22 ' A' ' 48' ' ' VAL . 10.7 tp -93.06 130.08 38.79 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 114.998 -1.001 . . . . 0.0 108.72 -175.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.89 163.21 23.55 Favored 'General case' 0 C--O 1.222 -0.371 0 O-C-N 123.492 0.495 . . . . 0.0 110.128 -173.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -50.75 -41.56 56.74 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.136 1.374 . . . . 0.0 114.406 -174.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 44.2 mt-10 -77.25 -29.24 53.92 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -79.47 -30.25 42.03 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.471 0.308 . . . . 0.0 111.296 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.471 HG22 HD23 ' A' ' 43' ' ' LEU . 66.3 t -75.27 -31.41 24.2 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.591 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 173.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -57.5 -40.14 78.02 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.271 0.628 . . . . 0.0 111.126 173.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 59.4 mt-10 -72.76 -38.47 67.34 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.362 176.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.7 mmm -69.24 -26.52 64.83 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.1 mm -69.43 -52.12 35.78 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.099 0 O-C-N 123.793 0.683 . . . . 0.0 110.772 173.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.86 -25.14 55.92 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -173.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.86 -8.78 59.49 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 121.143 0.496 . . . . 0.0 111.111 173.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.72 -15.05 14.85 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.302 0.641 . . . . 0.0 111.382 174.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -99.41 121.73 41.54 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.485 0.66 . . . . 0.0 110.021 -171.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.3 mt -79.49 -42.77 23.25 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.155 -175.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -92.49 -11.71 33.91 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -171.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.32 58.56 7.09 Favored Glycine 0 CA--C 1.535 1.339 0 N-CA-C 114.888 0.715 . . . . 0.0 114.888 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.4 p30 -114.74 -16.47 11.78 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 117.976 0.888 . . . . 0.0 112.625 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.08 -8.07 60.76 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 121.136 -0.554 . . . . 0.0 114.214 -176.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -130.44 131.95 45.47 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 122.224 1.012 . . . . 0.0 110.587 175.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 65.1 t -92.82 109.67 21.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 CA-C-N 114.055 -1.43 . . . . 0.0 108.785 -171.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.52 -174.54 2.09 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.92 -178.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -64.74 -44.52 89.87 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.877 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -61.67 -36.67 81.53 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 122.964 0.505 . . . . 0.0 112.266 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -78.85 -27.12 44.12 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 123.221 0.608 . . . . 0.0 111.592 -177.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -71.4 -44.0 65.75 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.038 175.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.618 ' HA ' HG21 ' A' ' 12' ' ' ILE . 86.2 t -64.84 -43.76 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 O-C-N 123.787 0.68 . . . . 0.0 111.383 -177.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -67.35 -27.26 66.98 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.5 -20.06 25.61 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 120.968 0.413 . . . . 0.0 111.783 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 42.2 mmm -91.84 -19.33 22.64 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.179 -0.326 . . . . 0.0 111.625 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.5 p -98.57 -31.97 11.68 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.696 176.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -123.07 125.49 45.29 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 171.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.3 mttt . . . . . 0 N--CA 1.479 1.017 0 O-C-N 124.535 1.147 . . . . 0.0 111.079 -179.406 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.5 p . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 121.487 0.66 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.415 HD13 ' HE2' ' A' ' 4' ' ' LYS . 91.3 mt -134.18 160.62 37.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.272 177.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -95.37 24.46 5.08 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.415 ' HE2' HD13 ' A' ' 2' ' ' LEU . 68.6 mttm -64.19 127.26 30.67 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.055 0.542 . . . . 0.0 111.617 177.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -88.41 -71.57 0.58 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 171.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 49.16 103.26 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.511 1.525 . . . . 0.0 113.505 -173.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -103.5 13.31 33.75 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.577 -178.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.8 p -83.48 174.97 10.15 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.095 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 15.7 pt-20 -69.6 -16.64 63.43 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.089 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -64.73 -38.16 90.04 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 123.394 0.678 . . . . 0.0 111.166 176.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -72.11 -30.92 65.55 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.522 176.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.625 HG21 ' HA ' ' A' ' 69' ' ' VAL . 24.6 mm -75.25 -23.93 17.31 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.048 -177.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 79.4 mtm180 -63.33 -41.56 98.91 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 122.503 0.321 . . . . 0.0 111.074 176.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -69.24 -41.74 76.56 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 123.804 0.69 . . . . 0.0 110.669 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.446 ' O ' ' HD1' ' A' ' 19' ' ' PHE . . . -64.4 -33.67 76.41 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 124.041 0.838 . . . . 0.0 111.696 178.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -63.52 -36.09 82.63 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.012 0.525 . . . . 0.0 111.45 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 55.8 mtm180 -77.96 -15.66 58.79 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -176.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -83.32 -37.82 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 173.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.446 ' HD1' ' O ' ' A' ' 15' ' ' ALA . 32.0 m-85 -77.86 -32.21 51.92 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.043 -0.98 . . . . 0.0 112.088 -174.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -89.27 107.25 18.95 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-O 121.405 0.622 . . . . 0.0 109.387 174.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 71.8 mmtt -78.39 -33.33 48.91 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -93.84 -11.85 30.27 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -171.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.14 30.98 60.12 Favored Glycine 0 CA--C 1.537 1.452 0 N-CA-C 115.25 0.86 . . . . 0.0 115.25 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -94.94 -15.58 23.49 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 118.776 1.288 . . . . 0.0 112.553 -178.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.34 16.37 40.62 Favored Glycine 0 CA--C 1.522 0.47 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.765 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.6 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 69.4 m-85 -142.78 130.3 21.26 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 123.41 0.684 . . . . 0.0 110.079 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.8 mt -95.68 113.12 29.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 176.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.7 p -91.49 176.72 6.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.29 177.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.0 -28.22 64.27 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 122.7 0.4 . . . . 0.0 111.916 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.54 -32.15 65.87 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.095 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -77.08 -41.55 41.77 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.629 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.517 HD23 HG13 ' A' ' 48' ' ' VAL . 38.2 tp -69.13 -34.53 75.18 Favored 'General case' 0 C--O 1.223 -0.341 0 O-C-N 124.051 0.844 . . . . 0.0 111.103 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -73.13 -37.87 66.48 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.2 t60 -62.23 -50.46 71.65 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.791 0.682 . . . . 0.0 110.82 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.478 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 9.4 p -73.73 -33.08 37.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 O-C-N 123.679 0.612 . . . . 0.0 112.048 -173.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.4 mmt -66.19 -39.54 89.75 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.368 0.531 . . . . 0.0 111.262 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.625 HG23 ' HG2' ' A' ' 42' ' ' LYS . 90.4 m -65.56 -35.92 82.26 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.061 176.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -71.19 -37.39 72.15 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 178.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 87.8 mt -69.81 -28.19 65.51 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.562 0.539 . . . . 0.0 111.818 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.18 3.3 17.53 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.344 178.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -80.52 -50.82 9.52 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 122.537 0.335 . . . . 0.0 110.172 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.625 ' HG2' HG23 ' A' ' 37' ' ' THR . 62.2 mttp 57.86 81.96 0.14 Allowed 'General case' 0 N--CA 1.471 0.588 0 O-C-N 125.224 1.578 . . . . 0.0 111.175 -176.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.434 ' HG ' ' HB2' ' A' ' 47' ' ' GLU . 8.4 tp -97.64 141.8 30.22 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.871 -1.059 . . . . 0.0 108.872 -175.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -77.84 170.42 16.63 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 110.467 -0.198 . . . . 0.0 110.467 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -67.39 -32.27 73.06 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 -177.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -69.54 -39.9 77.2 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.273 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 51' ' ' MET . 51.6 mt-10 -75.92 -35.87 59.6 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.981 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.517 HG13 HD23 ' A' ' 32' ' ' LEU . 45.3 t -66.52 -37.03 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 123.005 0.522 . . . . 0.0 110.481 176.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -57.64 -43.33 84.77 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 123.623 0.577 . . . . 0.0 111.34 173.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.96 -36.65 85.07 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.27 0.628 . . . . 0.0 112.273 178.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.436 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 88.9 mmm -77.95 -27.1 49.2 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-O 119.791 -0.147 . . . . 0.0 111.083 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.4 mm -72.52 -44.84 60.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.781 0 C-N-CA 122.955 0.502 . . . . 0.0 110.759 176.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -73.42 -21.93 60.35 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -83.16 -33.35 26.25 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 120.839 0.352 . . . . 0.0 110.162 176.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.47 -32.92 54.7 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.76 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -85.7 109.56 18.7 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 122.089 0.947 . . . . 0.0 110.955 -174.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.5 mt -79.65 -35.92 17.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 114.048 -1.433 . . . . 0.0 111.432 -175.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 p30 -93.38 -11.76 31.5 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -170.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.13 48.75 30.43 Favored Glycine 0 CA--C 1.535 1.316 0 N-CA-C 115.066 0.786 . . . . 0.0 115.066 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 p30 -107.39 -16.01 14.49 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 117.717 0.758 . . . . 0.0 110.837 172.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.9 -11.28 60.7 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-N 116.018 -0.537 . . . . 0.0 113.764 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.6 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 25.0 mt-30 -128.31 131.27 48.65 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.728 0.775 . . . . 0.0 110.793 -178.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.6 t -94.96 108.03 20.29 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.162 -166.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -82.1 -177.62 6.69 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.266 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.455 ' O ' HG23 ' A' ' 69' ' ' VAL . 55.4 t80 -50.23 -53.92 24.75 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -177.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -71.95 -27.79 63.02 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -174.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -70.63 -35.65 73.03 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.196 0.522 . . . . 0.0 110.612 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -73.39 -32.88 64.72 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.043 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.625 ' HA ' HG21 ' A' ' 12' ' ' ILE . 92.4 t -67.52 -38.65 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 122.338 0.255 . . . . 0.0 110.419 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -79.11 -20.2 49.26 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -75.14 -33.42 61.52 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 122.407 -0.183 . . . . 0.0 110.719 168.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.2 mmm -84.94 -50.4 7.53 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -173.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.6 t -106.97 -32.64 7.79 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 119.064 -0.493 . . . . 0.0 112.023 -176.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 62.3 25.4 15.18 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 124.838 1.336 . . . . 0.0 113.237 173.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.0 tttm . . . . . 0 C--O 1.237 0.427 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.671 -168.575 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.484 1.236 0 CA-C-O 121.258 0.551 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.0 mt -107.59 9.62 29.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.462 -176.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 92.2 mmm -84.78 -24.67 28.64 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.4 mttt 79.6 -37.83 0.18 Allowed 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 126.294 1.838 . . . . 0.0 113.067 173.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 63.1 33.85 14.2 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 125.105 1.362 . . . . 0.0 112.245 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m -114.19 26.17 10.5 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.06 93.51 0.09 Allowed 'General case' 0 C--N 1.354 0.795 0 C-N-CA 124.128 0.971 . . . . 0.0 112.459 -170.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.58 ' O ' HG12 ' A' ' 12' ' ' ILE . 17.9 m -169.3 -169.89 1.01 Allowed 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 126.743 2.017 . . . . 0.0 106.346 -178.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 2.4 mp0 -57.0 -32.4 66.08 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.961 0.905 . . . . 0.0 112.699 -176.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -71.84 -31.85 66.94 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -177.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -84.51 -23.17 29.93 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.045 0.45 . . . . 0.0 110.227 177.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.58 HG12 ' O ' ' A' ' 8' ' ' SER . 44.0 mm -67.04 -26.86 37.7 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.07 173.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 74.0 mtt180 -61.9 -35.98 79.95 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.625 0.77 . . . . 0.0 112.558 176.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.65 -42.33 78.11 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 123.111 0.257 . . . . 0.0 110.737 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.65 -32.53 73.9 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.77 0.669 . . . . 0.0 111.534 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -64.32 -37.32 87.08 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.556 0.742 . . . . 0.0 111.564 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 49.0 mtm-85 -67.25 -31.72 72.25 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -178.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -73.12 -36.17 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-O 121.017 0.437 . . . . 0.0 110.027 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -81.54 -27.48 34.39 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.054 -0.975 . . . . 0.0 112.092 -174.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -90.73 109.73 20.91 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.493 ' HE2' ' HA ' ' A' ' 21' ' ' LYS . 7.1 mmpt? -75.27 -33.56 61.26 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.464 -0.789 . . . . 0.0 113.019 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -100.64 -11.08 20.3 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -169.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.55 45.27 68.16 Favored Glycine 0 CA--C 1.532 1.152 0 N-CA-C 114.543 0.577 . . . . 0.0 114.543 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -106.32 -9.3 16.85 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.239 1.019 . . . . 0.0 112.799 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.07 20.76 37.96 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 121.294 -0.479 . . . . 0.0 112.166 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.548 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 96.8 m-85 -143.41 130.53 20.72 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 123.577 0.751 . . . . 0.0 109.568 -178.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.1 mt -100.77 103.01 14.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 173.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.4 m -81.54 169.39 17.16 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.82 177.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.26 -28.61 65.37 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.86 -28.07 62.3 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.709 0.29 . . . . 0.0 111.471 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -74.88 -50.83 15.62 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.338 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.529 HD23 HG13 ' A' ' 48' ' ' VAL . 38.5 tp -65.31 -33.2 75.42 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.819 0.699 . . . . 0.0 111.253 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.506 ' HA ' HG21 ' A' ' 48' ' ' VAL . 69.2 ttt180 -62.68 -45.03 94.69 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.23 0.612 . . . . 0.0 111.325 176.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -70.24 -42.4 72.28 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 119.106 -0.474 . . . . 0.0 111.426 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.8 t -63.46 -46.61 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 123.633 0.583 . . . . 0.0 111.434 -177.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.7 mmt -64.85 -43.1 94.11 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 58.5 m -67.71 -31.08 70.78 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.406 177.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -73.54 -32.49 64.23 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.035 0.534 . . . . 0.0 111.509 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.4 mt -79.03 -19.85 50.42 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.559 178.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.52 8.66 40.05 Favored Glycine 0 C--N 1.333 0.414 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.748 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -87.51 -24.18 24.17 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 122.378 0.271 . . . . 0.0 110.663 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.497 ' HE3' ' HB2' ' A' ' 42' ' ' LYS . 26.4 mtmt 62.32 41.11 10.6 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 124.64 1.212 . . . . 0.0 112.771 166.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.449 ' HG ' ' CB ' ' A' ' 47' ' ' GLU . 2.6 tp -68.59 117.48 10.38 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.4 p -78.7 177.53 8.57 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.749 -175.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -61.53 -34.74 76.06 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 43.1 mm-40 -66.83 -45.43 78.27 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 123.35 0.406 . . . . 0.0 111.414 175.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.449 ' CB ' ' HG ' ' A' ' 43' ' ' LEU . 59.0 mm-40 -69.32 -40.02 77.86 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.783 0.677 . . . . 0.0 111.885 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.529 HG13 HD23 ' A' ' 32' ' ' LEU . 84.9 t -70.31 -39.41 76.62 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.181 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.801 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -63.04 -41.08 99.42 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.374 0.421 . . . . 0.0 111.2 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 61.4 mm-40 -62.37 -40.82 97.68 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.756 0.66 . . . . 0.0 111.69 176.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 91.0 mmm -72.05 -37.77 69.61 Favored 'General case' 0 C--O 1.225 -0.235 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.4 mm -69.92 -42.91 79.86 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.886 0 O-C-N 123.545 0.528 . . . . 0.0 110.724 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.6 ptt85 -73.32 -21.25 60.61 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -86.55 -28.3 23.43 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 120.729 0.299 . . . . 0.0 110.578 176.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.0 -29.32 27.07 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -82.49 107.84 15.45 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.089 -176.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.2 mt -77.92 -35.13 20.29 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 CA-C-N 113.999 -1.455 . . . . 0.0 110.961 -176.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -91.5 -11.83 36.33 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -174.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.44 56.52 9.85 Favored Glycine 0 CA--C 1.539 1.563 0 N-CA-C 115.138 0.815 . . . . 0.0 115.138 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.7 p30 -115.23 -16.1 11.56 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 117.672 0.736 . . . . 0.0 112.126 174.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.82 -10.1 60.44 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 121.11 -0.567 . . . . 0.0 114.165 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.548 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 9.5 mt-30 -128.26 131.05 48.76 Favored 'General case' 0 C--O 1.245 0.817 0 CA-C-O 122.075 0.94 . . . . 0.0 110.326 176.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.0 t -92.28 110.69 23.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 CA-C-N 114.055 -1.43 . . . . 0.0 109.033 -168.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.39 -174.82 1.75 Allowed 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.119 0.485 . . . . 0.0 109.783 -177.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -61.46 -49.31 77.3 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.162 174.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 7.5 pt-20 -58.95 -42.12 89.07 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 124.15 0.906 . . . . 0.0 112.615 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -72.04 -34.13 68.54 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 123.23 0.612 . . . . 0.0 112.099 -176.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -71.61 -40.31 69.89 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.495 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.559 ' HA ' HG21 ' A' ' 12' ' ' ILE . 94.9 t -67.67 -40.6 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 O-C-N 123.386 0.429 . . . . 0.0 111.21 -178.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 17.4 mm100 -68.31 -31.4 70.8 Favored 'General case' 0 C--O 1.225 -0.223 0 O-C-N 123.087 0.242 . . . . 0.0 111.332 -178.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -83.18 -23.98 32.66 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.524 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 64.4 mmm -85.17 -27.94 25.81 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.14 -0.35 . . . . 0.0 111.739 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.6 p -87.65 -38.27 16.04 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.525 0.195 . . . . 0.0 111.525 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.08 -12.32 33.38 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt . . . . . 0 N--CA 1.473 0.719 0 O-C-N 124.369 1.043 . . . . 0.0 112.059 173.731 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.4 p . . . . . 0 N--CA 1.473 0.71 0 CA-C-O 121.048 0.451 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.49 HD13 ' HG3' ' A' ' 75' ' ' LYS . 9.2 mp -103.32 135.85 44.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.318 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 57.5 mtt -94.13 -41.2 9.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.369 0.604 . . . . 0.0 109.446 176.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -113.9 138.22 50.62 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.019 -0.992 . . . . 0.0 110.358 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -74.63 136.74 41.97 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.443 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.3 p -97.75 133.23 42.55 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.66 178.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -70.43 -68.84 0.4 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.939 -174.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.447 ' O ' HG12 ' A' ' 12' ' ' ILE . 4.1 t -155.03 -156.16 0.64 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -178.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.402 ' HG2' ' H ' ' A' ' 9' ' ' GLU . 1.4 mm-40 -69.26 -26.78 64.94 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.279 0.632 . . . . 0.0 111.934 -170.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -68.64 -34.76 76.29 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.311 0.645 . . . . 0.0 112.077 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -70.46 -31.95 69.3 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.235 176.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.571 HG21 ' HA ' ' A' ' 69' ' ' VAL . 25.2 mm -78.33 -26.35 14.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.526 -178.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.552 ' O ' ' HD3' ' A' ' 17' ' ' ARG . 71.6 mtt180 -63.41 -48.45 77.78 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 178.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -75.22 -25.22 57.96 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 117.48 0.127 . . . . 0.0 110.897 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.9 -30.59 66.98 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.643 0.259 . . . . 0.0 111.327 174.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -68.67 -29.98 68.56 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.185 0.594 . . . . 0.0 110.558 174.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.552 ' HD3' ' O ' ' A' ' 13' ' ' ARG . 9.3 mpt_? -75.72 -18.14 59.68 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.257 0.623 . . . . 0.0 112.109 -176.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 t -78.55 -42.89 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 174.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.568 ' HA ' HG21 ' A' ' 35' ' ' VAL . 43.5 m-85 -80.32 -33.05 37.8 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 114.763 -1.108 . . . . 0.0 112.478 -170.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -90.57 100.61 13.43 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.452 0.644 . . . . 0.0 109.975 177.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.457 ' HE2' HG22 ' A' ' 35' ' ' VAL . 72.6 mmtt -77.69 -33.42 53.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.701 -1.136 . . . . 0.0 113.567 -175.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.4 p30 -87.3 -11.51 49.3 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -173.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.27 43.33 98.65 Favored Glycine 0 CA--C 1.536 1.402 0 N-CA-C 114.71 0.644 . . . . 0.0 114.71 -177.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -104.92 -18.08 14.32 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 117.753 0.776 . . . . 0.0 111.314 177.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.28 6.77 58.65 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 121.299 -0.477 . . . . 0.0 113.907 179.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.558 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 36.1 m-85 -135.17 129.04 33.17 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 117.339 0.569 . . . . 0.0 110.025 176.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.3 mt -97.73 114.25 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 120.954 0.406 . . . . 0.0 110.284 -174.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.0 p -91.51 178.43 5.95 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.858 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.68 -21.59 63.5 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.635 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.54 -42.82 74.1 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 122.716 0.406 . . . . 0.0 111.66 176.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 35' ' ' VAL . 40.9 mt-10 -75.24 -43.55 50.92 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.117 -175.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.7 tp -66.52 -34.82 78.76 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 123.652 0.595 . . . . 0.0 111.374 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -68.86 -39.45 79.89 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.572 177.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -65.12 -39.65 93.37 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 123.51 0.506 . . . . 0.0 111.283 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.568 HG21 ' HA ' ' A' ' 19' ' ' PHE . 88.0 t -64.41 -49.6 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 O-C-N 123.666 0.604 . . . . 0.0 110.923 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.3 mmt -63.47 -37.16 86.22 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -177.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.592 ' HA ' ' HA ' ' A' ' 42' ' ' LYS . 37.8 m -73.76 -32.32 63.75 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.293 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -70.94 -28.63 64.63 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 122.864 0.466 . . . . 0.0 111.228 176.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 90.2 mt -75.81 -7.16 53.78 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.296 179.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.35 -6.47 68.42 Favored Glycine 0 C--N 1.341 0.824 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -86.37 -25.13 25.5 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 122.65 0.38 . . . . 0.0 111.595 -173.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.592 ' HA ' ' HA ' ' A' ' 37' ' ' THR . 23.8 pttm 40.59 80.88 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 126.304 1.842 . . . . 0.0 114.006 -178.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 tp -82.32 135.83 35.13 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.7 160.62 32.32 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 123.749 0.656 . . . . 0.0 109.805 -177.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -63.55 -35.55 80.86 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.988 0.515 . . . . 0.0 111.858 -176.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 34.9 tt0 -62.26 -49.75 74.45 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.311 0.644 . . . . 0.0 111.303 173.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 51' ' ' MET . 49.0 mt-10 -60.41 -39.02 85.88 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 124.019 0.824 . . . . 0.0 112.38 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.0 t -69.21 -34.66 64.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 123.339 0.656 . . . . 0.0 111.296 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -67.36 -31.62 71.99 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.156 0.503 . . . . 0.0 111.128 176.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 37.2 mt-10 -74.8 -22.84 58.51 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.222 176.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.47 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 24.8 mmt -82.3 -37.43 25.82 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.452 174.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.8 mm -64.68 -44.3 96.6 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 O-C-N 123.627 0.58 . . . . 0.0 110.846 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -68.96 -21.69 64.16 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -178.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -88.17 -40.15 13.95 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.493 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.57 -22.06 30.2 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -174.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -86.17 126.92 34.59 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.147 0.499 . . . . 0.0 109.751 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.505 HG12 ' HG2' ' A' ' 67' ' ' GLU . 7.6 mm -78.95 -41.63 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.426 -172.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -99.22 -12.19 20.64 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -169.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.55 53.81 11.78 Favored Glycine 0 CA--C 1.539 1.533 0 N-CA-C 114.425 0.53 . . . . 0.0 114.425 -177.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.9 p30 -108.44 -15.08 14.53 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 117.29 0.545 . . . . 0.0 111.892 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.88 -15.83 43.98 Favored Glycine 0 CA--C 1.524 0.637 0 CA-C-O 119.929 -0.373 . . . . 0.0 113.626 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.558 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 26.8 mt-30 -132.97 137.42 46.55 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 123.362 1.553 . . . . 0.0 112.469 179.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.1 t -100.42 105.49 17.74 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 CA-C-N 112.552 -2.113 . . . . 0.0 109.583 -170.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.421 ' OD1' ' HG2' ' A' ' 66' ' ' GLU . 6.8 p30 -85.14 -174.29 5.17 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.85 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -50.23 -53.18 29.97 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -176.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.421 ' HG2' ' OD1' ' A' ' 64' ' ' ASN . 10.5 pt-20 -69.78 -32.18 70.52 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.505 ' HG2' HG12 ' A' ' 57' ' ' ILE . 47.0 mt-10 -69.47 -35.63 75.79 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.31 0.644 . . . . 0.0 111.622 177.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -72.5 -42.46 64.84 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.374 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.571 ' HA ' HG21 ' A' ' 12' ' ' ILE . 70.0 t -61.14 -43.46 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-O 119.003 -0.523 . . . . 0.0 111.239 178.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -57.4 -43.64 83.88 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.655 0.597 . . . . 0.0 112.382 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -69.62 -37.05 76.67 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 123.328 0.393 . . . . 0.0 111.776 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.43 ' HB3' HD12 ' A' ' 12' ' ' ILE . 82.3 mmm -78.37 -36.42 46.06 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -174.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 51.4 p -84.92 -24.74 28.29 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 111.507 0.188 . . . . 0.0 111.507 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.0 -5.75 58.98 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 119.563 -0.256 . . . . 0.0 111.408 173.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.49 ' HG3' HD13 ' A' ' 2' ' ' LEU . 87.4 tttt . . . . . 0 C--N 1.353 0.722 0 O-C-N 124.717 1.26 . . . . 0.0 111.305 175.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 N--CA 1.47 0.554 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 55.1 tp -64.78 114.22 4.32 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 123.856 0.723 . . . . 0.0 109.677 174.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 98.3 mmm -85.48 177.67 7.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.161 175.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -60.22 -78.38 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 O-C-N 123.601 0.563 . . . . 0.0 111.51 -176.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.6 t70 168.36 -65.33 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 106.271 -1.752 . . . . 0.0 106.271 173.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.6 t -121.79 -159.28 0.81 Allowed 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 171.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.6 t70 69.56 31.27 3.74 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 123.039 1.399 . . . . 0.0 110.09 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.2 p -109.86 -167.61 1.22 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.079 -0.964 . . . . 0.0 108.83 174.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.505 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 13.1 pt-20 -67.63 -20.91 65.39 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -174.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 43.8 mt-10 -78.91 -25.07 43.75 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.604 0.362 . . . . 0.0 111.766 -178.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -73.55 -32.22 64.06 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 170.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.571 HG21 ' HA ' ' A' ' 69' ' ' VAL . 23.0 mm -73.76 -25.92 21.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.669 178.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 69.1 mtt180 -66.12 -36.55 83.45 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.641 0.376 . . . . 0.0 110.685 174.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -77.38 -39.13 48.31 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.073 177.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.403 ' O ' ' HD1' ' A' ' 19' ' ' PHE . . . -65.1 -31.54 72.8 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.649 0.593 . . . . 0.0 111.336 178.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -65.14 -35.89 82.52 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 123.357 0.663 . . . . 0.0 111.238 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 39.0 mtm180 -76.19 -15.05 60.13 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -179.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -84.51 -42.36 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 172.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.599 ' HA ' HG21 ' A' ' 35' ' ' VAL . 35.8 m-85 -75.05 -34.85 61.9 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.888 -175.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -84.68 109.86 18.33 Favored 'General case' 0 C--O 1.228 -0.073 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 169.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.554 ' HE3' ' HA ' ' A' ' 31' ' ' GLU . 6.4 mtmp? -77.17 -26.63 53.15 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -176.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -104.68 -12.05 16.57 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -173.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.65 40.1 77.36 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-O 119.341 -0.699 . . . . 0.0 114.804 177.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -99.68 -14.13 19.04 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 118.424 1.112 . . . . 0.0 112.625 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.09 13.3 29.4 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.693 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -143.78 130.56 20.31 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 123.371 0.668 . . . . 0.0 110.58 -175.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.417 ' HB ' ' HB ' ' A' ' 63' ' ' VAL . 60.3 mt -103.14 106.2 19.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 175.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.0 m -83.19 177.25 8.64 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.245 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.34 -52.88 60.17 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 123.53 0.519 . . . . 0.0 111.837 175.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.17 -23.92 67.65 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -177.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.554 ' HA ' ' HE3' ' A' ' 21' ' ' LYS . 49.1 mt-10 -77.34 -51.63 10.52 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 122.289 0.236 . . . . 0.0 111.595 -179.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.4 tp -65.9 -33.68 76.39 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 123.713 0.633 . . . . 0.0 110.932 177.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.92 -51.45 63.72 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.878 1.271 . . . . 0.0 111.798 173.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -68.58 -37.02 79.5 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 123.754 0.659 . . . . 0.0 111.327 -175.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.599 HG21 ' HA ' ' A' ' 19' ' ' PHE . 58.8 t -67.25 -41.03 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 O-C-N 123.276 0.36 . . . . 0.0 111.231 -178.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.52 ' HG3' HD22 ' A' ' 43' ' ' LEU . 24.8 mmt -73.49 -25.32 60.4 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.014 0.435 . . . . 0.0 111.742 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 42' ' ' LYS . 67.2 m -74.51 -32.8 62.62 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.83 173.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -66.48 -34.34 77.71 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.313 0.645 . . . . 0.0 111.816 174.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -79.77 2.68 22.03 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.334 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.68 -15.54 58.39 Favored Glycine 0 C--N 1.339 0.708 0 CA-C-N 116.508 -0.314 . . . . 0.0 113.549 170.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -75.5 -33.77 60.78 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -172.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 37' ' ' THR . 43.7 mttp 59.12 77.17 0.32 Allowed 'General case' 0 N--CA 1.48 1.051 0 O-C-N 124.898 1.373 . . . . 0.0 110.88 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.52 HD22 ' HG3' ' A' ' 36' ' ' MET . 3.7 tp -79.22 122.13 25.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.525 -171.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.401 ' O ' HG23 ' A' ' 48' ' ' VAL . 57.1 p -79.91 175.98 10.14 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.182 -177.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -62.4 -38.82 91.14 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.908 0.483 . . . . 0.0 111.727 -173.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -67.18 -40.79 86.64 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.861 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -70.51 -42.89 70.69 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.376 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.428 HG22 HD23 ' A' ' 43' ' ' LEU . 97.7 t -65.41 -42.3 93.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 123.298 0.639 . . . . 0.0 111.657 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.17 -36.97 78.77 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 123.812 0.695 . . . . 0.0 111.534 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -75.51 -33.49 60.76 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.176 177.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.456 ' HG3' HD21 ' A' ' 43' ' ' LEU . 25.5 mmt -74.45 -29.73 61.59 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 122.46 0.304 . . . . 0.0 111.483 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.1 mm -65.74 -49.73 75.59 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.088 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.388 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.9 ptp85 -71.55 -21.69 61.86 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -76.25 -35.43 58.97 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.772 0.32 . . . . 0.0 110.608 176.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.71 -22.08 23.54 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -92.29 139.52 30.52 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 122.921 0.488 . . . . 0.0 110.147 -175.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.3 mt -79.91 -55.82 8.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.03 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -86.34 -12.04 50.45 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -167.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.04 50.46 22.9 Favored Glycine 0 CA--C 1.532 1.112 0 N-CA-C 114.559 0.584 . . . . 0.0 114.559 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.9 p30 -105.8 -16.07 14.77 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 117.689 0.745 . . . . 0.0 112.433 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.81 -13.16 50.04 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 120.997 -0.62 . . . . 0.0 113.925 -176.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -125.99 131.73 52.17 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 122.25 1.024 . . . . 0.0 110.845 176.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.417 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 22.6 t -102.84 106.86 20.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 CA-C-N 113.506 -1.679 . . . . 0.0 107.692 -170.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -77.11 -174.21 3.09 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 -176.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.46 ' O ' HG23 ' A' ' 69' ' ' VAL . 52.2 t80 -59.34 -53.58 56.57 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.731 177.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -61.08 -34.78 75.47 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.442 1.097 . . . . 0.0 112.174 -177.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -75.92 -33.53 59.87 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.237 -177.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -71.72 -44.39 64.22 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.702 176.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.571 ' HA ' HG21 ' A' ' 12' ' ' ILE . 58.1 t -62.21 -41.41 91.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 O-C-N 123.581 0.551 . . . . 0.0 111.289 -177.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.406 HE21 ' HA ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -64.83 -39.52 93.7 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-O 118.835 -0.602 . . . . 0.0 112.235 -179.089 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -69.07 -38.0 78.79 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.397 0.436 . . . . 0.0 111.067 177.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 77.5 mmm -71.23 -23.04 61.93 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.099 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.7 p -105.18 -7.83 18.77 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.39 -33.55 23.74 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 120.935 0.398 . . . . 0.0 110.529 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.2 tttt . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.445 178.455 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.651 0.262 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.5 mp -89.66 71.07 7.83 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.906 0.86 . . . . 0.0 111.474 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 93.0 mtp -125.53 4.46 7.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.748 -1.115 . . . . 0.0 109.416 175.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -123.23 92.94 3.8 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.876 -173.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -124.42 -59.48 1.46 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.591 176.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 53.2 p 51.19 75.6 0.19 Allowed 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 125.933 1.693 . . . . 0.0 113.198 175.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -134.06 -50.6 0.82 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.847 -1.069 . . . . 0.0 111.657 -172.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.498 ' O ' HG12 ' A' ' 12' ' ' ILE . 79.5 p -79.78 165.47 22.74 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.164 -176.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.79 -22.88 61.51 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.693 -175.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -77.34 -25.21 50.89 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.4 177.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -76.79 -25.15 53.02 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.773 171.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.544 HG21 ' HA ' ' A' ' 69' ' ' VAL . 34.1 mm -77.99 -22.21 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.339 176.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.463 ' HG2' ' CE1' ' A' ' 65' ' ' TYR . 99.8 mtt180 -62.8 -36.97 84.9 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.172 0.589 . . . . 0.0 112.06 175.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -71.37 -38.46 71.54 Favored 'General case' 0 C--O 1.223 -0.328 0 O-C-N 123.62 0.575 . . . . 0.0 109.728 178.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.62 -30.78 67.52 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.669 178.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -66.51 -39.07 88.48 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.666 0.786 . . . . 0.0 111.871 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -15.75 60.48 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -177.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.6 t -79.52 -44.22 23.56 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 173.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.517 ' HA ' HG21 ' A' ' 35' ' ' VAL . 28.7 m-85 -73.73 -26.34 60.63 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.839 -1.073 . . . . 0.0 112.031 -174.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -86.63 110.25 19.72 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 168.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -18.54 61.94 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.517 1.302 . . . . 0.0 114.517 -175.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.15 -10.68 11.46 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -176.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.0 43.69 90.56 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-O 119.551 -0.583 . . . . 0.0 114.2 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -102.05 -17.57 16.0 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.36 1.08 . . . . 0.0 112.25 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.69 2.45 37.21 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 120.947 -0.645 . . . . 0.0 113.448 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.5 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 67.9 m-85 -133.74 130.0 37.47 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 176.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.442 ' HB ' ' HB ' ' A' ' 63' ' ' VAL . 55.6 mt -104.66 114.19 43.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.0 m -95.31 177.66 5.77 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.453 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.59 -31.21 68.11 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 122.817 0.447 . . . . 0.0 111.827 -178.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.85 -33.32 74.54 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 122.769 0.428 . . . . 0.0 111.294 175.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 35' ' ' VAL . 50.3 mt-10 -74.23 -46.15 43.54 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.043 178.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.516 HD23 HG13 ' A' ' 48' ' ' VAL . 60.5 tp -66.18 -36.06 82.11 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.833 0.708 . . . . 0.0 111.593 -178.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -68.13 -35.27 77.84 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.297 0.373 . . . . 0.0 110.436 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -70.62 -37.35 73.81 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-O 119.297 -0.382 . . . . 0.0 110.571 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.517 HG21 ' HA ' ' A' ' 19' ' ' PHE . 90.5 t -63.97 -40.26 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.225 0.61 . . . . 0.0 110.843 175.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.4 mmt -60.36 -44.03 95.96 Favored 'General case' 0 C--O 1.222 -0.352 0 O-C-N 123.59 0.556 . . . . 0.0 111.058 175.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.2 m -70.11 -27.22 64.41 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.015 0.526 . . . . 0.0 111.809 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -68.35 -34.14 75.55 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.811 0.444 . . . . 0.0 111.153 174.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -85.76 1.93 47.61 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.491 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.38 19.32 55.27 Favored Glycine 0 C--N 1.339 0.716 0 C-N-CA 121.357 -0.449 . . . . 0.0 113.414 176.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -114.47 159.67 20.08 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -130.55 82.77 2.07 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.171 0.51 . . . . 0.0 110.532 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -78.03 130.77 36.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.29 174.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.0 p -78.11 172.93 12.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.529 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.03 -29.35 70.51 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -66.5 -45.56 79.19 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.768 0.667 . . . . 0.0 111.586 174.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -71.56 -40.91 69.67 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.734 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.516 HG13 HD23 ' A' ' 32' ' ' LEU . 95.1 t -68.89 -37.72 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 O-C-N 123.836 0.71 . . . . 0.0 110.936 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -60.69 -39.65 89.26 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 122.961 0.504 . . . . 0.0 112.114 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.548 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 53.4 mt-10 -74.71 -26.94 60.15 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.365 0.416 . . . . 0.0 111.781 -179.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.3 mmt -72.79 -39.82 66.39 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.31 0.381 . . . . 0.0 110.539 173.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.2 mm -65.95 -46.98 86.87 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.895 0 O-C-N 123.961 0.788 . . . . 0.0 110.932 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.548 ' HG2' ' HA ' ' A' ' 50' ' ' GLU . 28.4 ptt180 -71.14 -21.89 62.13 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -175.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -87.05 -30.27 21.29 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.933 0.397 . . . . 0.0 110.354 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.19 -21.32 31.31 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.676 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.33 114.79 26.93 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.685 0.755 . . . . 0.0 110.638 -177.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.3 mt -79.69 -41.48 21.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 114.284 -1.326 . . . . 0.0 110.87 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -91.69 -11.17 37.67 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.358 0.874 . . . . 0.0 113.358 -171.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.38 49.87 29.7 Favored Glycine 0 CA--C 1.534 1.279 0 N-CA-C 114.951 0.74 . . . . 0.0 114.951 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.2 p30 -108.55 -15.83 14.34 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-N 117.914 0.857 . . . . 0.0 111.968 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.18 -12.99 63.6 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 121.046 -0.597 . . . . 0.0 113.93 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.5 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 33.0 mt-30 -119.46 131.07 55.54 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 117.904 0.852 . . . . 0.0 109.691 177.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.442 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 53.5 t -96.33 109.23 22.49 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 CA-C-N 114.164 -1.38 . . . . 0.0 107.81 -171.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.73 -174.85 2.71 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.409 -177.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.463 ' CE1' ' HG2' ' A' ' 13' ' ' ARG . 43.8 t80 -62.08 -51.53 67.56 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.925 176.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 1.4 pm0 -61.81 -36.91 82.52 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.025 0.93 . . . . 0.0 112.749 -179.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -70.6 -37.36 73.86 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 123.734 0.647 . . . . 0.0 111.765 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -69.26 -38.4 78.38 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.622 176.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.544 ' HA ' HG21 ' A' ' 12' ' ' ILE . 46.9 t -64.26 -38.95 83.84 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.55 0 O-C-N 123.835 0.709 . . . . 0.0 111.179 -177.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 81.1 mm-40 -69.51 -31.23 69.34 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -178.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -80.61 -20.06 44.05 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.776 177.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.488 ' HB3' HD12 ' A' ' 12' ' ' ILE . 92.8 mmm -92.33 -33.96 14.4 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -178.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.9 p -84.36 -35.44 23.19 Favored 'General case' 0 N--CA 1.463 0.199 0 O-C-N 123.065 0.228 . . . . 0.0 111.33 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -101.66 156.58 17.4 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 173.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt . . . . . 0 CA--C 1.536 0.42 0 CA-C-O 121.392 0.615 . . . . 0.0 111.827 -175.453 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.471 0.602 0 CA-C-O 121.125 0.488 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 53.4 tp -149.49 90.49 1.73 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.459 178.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.9 ttt -124.8 34.46 4.99 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.001 -0.999 . . . . 0.0 108.556 178.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.6 mttp 59.95 55.0 3.98 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.6 1.16 . . . . 0.0 109.958 -172.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -74.92 128.8 36.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 114.658 -1.156 . . . . 0.0 111.821 -170.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.433 ' HB ' ' OE1' ' A' ' 11' ' ' GLU . 28.9 p -99.24 -179.05 4.11 Favored 'General case' 0 C--O 1.245 0.839 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.098 177.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.9 t70 72.71 2.45 4.36 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 125.122 1.369 . . . . 0.0 111.575 -178.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.487 ' O ' HG12 ' A' ' 12' ' ' ILE . 56.1 p -88.62 -172.79 3.88 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.519 -0.738 . . . . 0.0 110.482 176.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 14.7 mp0 -70.42 -20.42 62.92 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 123.521 0.728 . . . . 0.0 111.619 -173.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -64.19 -39.34 93.79 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.54 0.736 . . . . 0.0 111.176 175.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.433 ' OE1' ' HB ' ' A' ' 6' ' ' THR . 38.2 tt0 -75.11 -33.45 61.59 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.333 178.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.574 HG21 ' HA ' ' A' ' 69' ' ' VAL . 12.2 mm -74.96 -22.64 17.11 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.66 -177.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 43.4 mtp-105 -57.77 -56.18 25.31 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 122.705 0.402 . . . . 0.0 111.03 172.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -68.37 -30.91 69.96 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.305 1.003 . . . . 0.0 112.462 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.66 -44.8 77.02 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 117.914 0.325 . . . . 0.0 111.053 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -63.29 -31.98 73.27 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.632 0.773 . . . . 0.0 110.91 174.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -73.86 -24.96 59.82 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.178 -1.374 . . . . 0.0 112.282 -174.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 t -70.72 -46.97 66.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 172.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.534 ' HA ' HG21 ' A' ' 35' ' ' VAL . 57.9 m-85 -73.18 -36.46 66.58 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.202 -1.363 . . . . 0.0 112.073 -169.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -82.61 108.4 15.97 Favored 'General case' 0 C--N 1.341 0.229 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 173.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -78.4 -34.26 48.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.029 -0.987 . . . . 0.0 112.885 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -97.33 -11.5 23.97 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -170.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.5 46.58 62.0 Favored Glycine 0 CA--C 1.531 1.09 0 CA-C-O 119.579 -0.567 . . . . 0.0 114.454 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -106.03 -4.8 20.07 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.201 1.001 . . . . 0.0 112.186 178.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 64' ' ' ASN . . . 87.28 23.21 41.36 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 121.46 -0.4 . . . . 0.0 112.728 -178.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.585 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 38.6 m-85 -147.44 130.55 16.39 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.706 0.803 . . . . 0.0 110.776 -178.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.9 mt -98.83 104.81 16.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 169.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.4 p -84.03 176.16 9.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.65 0.262 . . . . 0.0 110.462 177.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.41 -26.5 68.01 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.178 -0.464 . . . . 0.0 112.113 174.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.79 -39.73 69.69 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.563 0.22 . . . . 0.0 111.419 176.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -73.11 -44.76 59.87 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.549 -178.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.446 HD23 HG13 ' A' ' 48' ' ' VAL . 33.7 tp -67.96 -34.98 77.6 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 123.855 0.722 . . . . 0.0 111.15 -178.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -65.41 -39.62 92.4 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.156 0.285 . . . . 0.0 110.953 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -63.38 -48.04 79.53 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.279 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.534 HG21 ' HA ' ' A' ' 19' ' ' PHE . 60.6 t -65.89 -42.24 91.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 O-C-N 123.715 0.635 . . . . 0.0 111.248 -176.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.4 mmt -57.31 -48.15 79.67 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.928 0.491 . . . . 0.0 112.218 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.481 HG23 ' HG2' ' A' ' 42' ' ' LYS . 23.3 m -71.71 -30.85 66.1 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.589 -177.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.09 -29.22 61.75 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.028 0.531 . . . . 0.0 112.145 178.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 87.4 mt -87.02 -2.12 58.39 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.89 -0.27 62.55 Favored Glycine 0 C--N 1.338 0.687 0 C-N-CA 121.296 -0.478 . . . . 0.0 113.603 174.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -80.67 -44.31 19.0 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.519 0.327 . . . . 0.0 110.731 -177.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.481 ' HG2' HG23 ' A' ' 37' ' ' THR . 35.7 mtmm 61.67 85.96 0.11 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.154 1.382 . . . . 0.0 112.524 178.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.2 mp -101.38 135.89 42.11 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.985 175.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 79.7 p -82.15 178.12 8.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.542 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -59.08 -39.63 82.77 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.247 0.619 . . . . 0.0 112.522 -173.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -77.71 -32.36 52.86 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.777 -177.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -77.52 -32.0 53.77 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 122.564 0.346 . . . . 0.0 111.294 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.446 HG13 HD23 ' A' ' 32' ' ' LEU . 53.1 t -66.97 -37.66 79.82 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.041 173.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.5 -30.22 69.85 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 123.343 0.402 . . . . 0.0 111.45 177.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -64.44 -34.1 77.4 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.928 0.491 . . . . 0.0 111.962 174.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 94.4 mmm -82.62 -31.29 28.9 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.813 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 18.7 mm -65.86 -47.48 85.44 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 O-C-N 123.602 0.563 . . . . 0.0 110.426 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -69.74 -22.86 63.34 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -177.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -82.84 -26.69 31.44 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 121.14 0.495 . . . . 0.0 110.613 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -95.99 -26.54 15.51 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -88.93 121.83 31.69 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.647 0.737 . . . . 0.0 111.087 -174.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 78.6 mt -80.16 -46.52 21.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 114.146 -1.388 . . . . 0.0 111.151 -176.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -88.48 -12.3 43.39 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -169.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.18 49.44 26.86 Favored Glycine 0 CA--C 1.538 1.478 0 N-CA-C 114.989 0.755 . . . . 0.0 114.989 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.3 p30 -106.22 -16.59 14.55 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 118.239 1.019 . . . . 0.0 112.504 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.85 -12.5 49.78 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 121.05 -0.595 . . . . 0.0 113.81 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.585 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 29.8 mt-30 -130.91 131.55 44.55 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 121.959 0.885 . . . . 0.0 111.196 177.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.0 t -90.56 112.44 24.96 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 CA-C-N 114.012 -1.449 . . . . 0.0 110.127 -171.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 25' ' ' GLY . 48.2 m-80 -65.01 178.55 0.81 Allowed 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.56 0.695 . . . . 0.0 112.212 175.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -64.51 -45.85 85.5 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.94 168.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -56.89 -39.98 75.4 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.426 0.691 . . . . 0.0 112.32 175.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -74.68 -34.55 62.7 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.929 -176.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -75.16 -39.81 60.06 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.892 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.574 ' HA ' HG21 ' A' ' 12' ' ' ILE . 92.0 t -66.31 -38.22 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 119.197 -0.43 . . . . 0.0 110.898 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -65.69 -35.55 81.1 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 177.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -73.99 -32.26 63.33 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 123.142 0.276 . . . . 0.0 111.245 178.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 72.4 mmm -86.13 -19.81 29.59 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -175.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.8 p -93.59 -10.97 32.89 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.137 0.494 . . . . 0.0 110.417 172.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -104.84 -164.17 1.02 Allowed 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.722 172.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.3 tttp . . . . . 0 C--N 1.325 -0.466 0 CA-C-O 120.741 0.305 . . . . 0.0 110.439 -177.667 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.6 t . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 88.8 mt -84.66 -18.23 36.03 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 122.957 0.503 . . . . 0.0 111.856 -178.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 84.3 mmm -97.97 107.16 19.58 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.143 0.497 . . . . 0.0 110.73 176.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.576 ' HG3' ' HB3' ' A' ' 7' ' ' ASP . 1.1 pmtp? -156.13 170.17 22.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.733 -177.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -95.94 -37.44 10.68 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 164.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.6 p -104.15 -112.46 0.24 Allowed 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.797 -174.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.576 ' HB3' ' HG3' ' A' ' 4' ' ' LYS . 25.6 t70 51.54 33.73 11.07 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 125.698 1.599 . . . . 0.0 111.853 -177.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.58 ' O ' HG12 ' A' ' 12' ' ' ILE . 76.7 p -98.93 -169.07 1.72 Allowed 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 171.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -63.6 -27.98 69.61 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -172.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -79.55 -25.97 41.52 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 178.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -81.28 -22.53 38.58 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.203 0.525 . . . . 0.0 109.882 174.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.635 HG21 ' HA ' ' A' ' 69' ' ' VAL . 50.3 mm -65.36 -28.24 43.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.321 173.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.404 ' O ' ' HG2' ' A' ' 17' ' ' ARG . 69.3 mtp180 -65.27 -37.51 87.43 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 122.785 0.434 . . . . 0.0 111.354 176.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -77.12 -35.42 56.27 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.797 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.07 -23.31 62.11 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.078 174.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -72.39 -27.1 62.15 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.445 175.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 15.1 mmm-85 -79.72 -19.81 47.96 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 111.522 0.193 . . . . 0.0 111.522 -177.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.1 t -74.83 -38.53 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.425 ' HA ' HG21 ' A' ' 35' ' ' VAL . 49.3 m-85 -86.68 -36.02 18.96 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.849 -173.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -92.22 101.19 13.69 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 24.0 mmtp -78.37 -28.95 47.14 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -90.71 -10.91 41.31 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -175.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.15 31.47 72.03 Favored Glycine 0 CA--C 1.533 1.159 0 N-CA-C 115.079 0.792 . . . . 0.0 115.079 176.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -93.02 -18.3 22.85 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 118.54 1.17 . . . . 0.0 112.664 -177.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.27 13.96 37.3 Favored Glycine 0 C--N 1.338 0.657 0 C-N-CA 120.889 -0.672 . . . . 0.0 113.046 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -142.02 130.23 22.19 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 123.912 0.885 . . . . 0.0 109.543 -179.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.3 mt -101.93 109.53 26.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.3 t -90.6 174.87 7.28 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.666 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.06 -27.96 67.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.109 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.4 -30.48 68.46 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 177.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -81.41 -42.76 19.92 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.986 -177.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.6 tp -65.77 -36.9 84.86 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 123.579 0.549 . . . . 0.0 110.69 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -64.12 -41.39 97.24 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 123.765 0.666 . . . . 0.0 111.056 176.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 50.7 t60 -67.41 -38.55 84.79 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 123.802 0.689 . . . . 0.0 111.298 -178.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.425 HG21 ' HA ' ' A' ' 19' ' ' PHE . 84.7 t -71.13 -45.26 72.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 O-C-N 123.418 0.449 . . . . 0.0 111.194 179.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.48 ' HG3' HD22 ' A' ' 43' ' ' LEU . 24.3 mmt -65.42 -40.24 93.11 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -176.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.533 HG23 ' HG3' ' A' ' 42' ' ' LYS . 46.5 m -68.61 -33.07 73.41 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 123.291 0.37 . . . . 0.0 111.303 179.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -72.41 -32.14 66.11 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 122.843 0.457 . . . . 0.0 111.103 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.3 mt -72.39 -12.04 60.94 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 122.926 0.49 . . . . 0.0 111.762 175.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.97 3.35 83.07 Favored Glycine 0 C--N 1.337 0.594 0 C-N-CA 121.727 -0.273 . . . . 0.0 112.574 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -78.38 -40.54 35.89 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 176.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.533 ' HG3' HG23 ' A' ' 37' ' ' THR . 79.9 tttt 56.68 86.81 0.06 Allowed 'General case' 0 C--N 1.346 0.455 0 O-C-N 125.521 1.763 . . . . 0.0 111.657 174.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.48 HD22 ' HG3' ' A' ' 36' ' ' MET . 5.5 tp -90.12 131.16 36.12 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.865 -174.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.9 m -71.0 165.74 22.81 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.479 0.712 . . . . 0.0 110.426 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -51.93 -48.2 64.34 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.224 1.01 . . . . 0.0 112.502 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 43.3 mp0 -66.79 -43.88 82.76 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 123.94 0.775 . . . . 0.0 110.948 177.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.86 -32.34 73.54 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -174.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.0 t -70.42 -41.92 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 175.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.81 -34.55 78.17 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 123.817 0.698 . . . . 0.0 111.293 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 18.5 mm-40 -62.8 -41.92 99.48 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 123.542 0.526 . . . . 0.0 111.421 175.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 92.5 mmm -78.14 -28.73 48.48 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -177.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.6 mm -64.71 -51.44 67.36 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.87 0 O-C-N 123.496 0.498 . . . . 0.0 109.737 171.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.1 ptt85 -72.17 -22.35 61.3 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -174.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -77.56 -33.92 53.89 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 120.949 0.404 . . . . 0.0 110.582 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.63 -19.84 21.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.159 -177.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -83.98 123.5 30.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.884 -177.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.444 HD11 ' HB2' ' A' ' 70' ' ' GLN . 66.4 mt -79.15 -42.74 23.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.984 -175.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -94.23 -12.24 28.61 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -171.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.11 59.11 6.64 Favored Glycine 0 CA--C 1.534 1.249 0 N-CA-C 114.727 0.651 . . . . 0.0 114.727 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.6 p30 -115.34 -15.72 11.53 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 118.001 0.9 . . . . 0.0 112.224 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.2 -12.5 48.47 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 120.841 -0.695 . . . . 0.0 114.452 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -130.92 135.12 47.38 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 122.404 1.097 . . . . 0.0 110.957 175.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.8 t -94.32 109.82 22.7 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 CA-C-N 113.102 -1.863 . . . . 0.0 107.235 -171.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -73.94 -174.12 1.76 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.906 -177.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.5 ' O ' HG23 ' A' ' 69' ' ' VAL . 77.9 t80 -62.89 -51.17 68.0 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.003 175.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -60.56 -34.53 74.3 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.235 1.014 . . . . 0.0 112.942 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -75.87 -29.31 58.47 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.489 -177.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.451 ' HA ' ' ND1' ' A' ' 71' ' ' HIS . 48.8 t80 -74.96 -40.85 60.53 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.679 174.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.635 ' HA ' HG21 ' A' ' 12' ' ' ILE . 52.4 t -66.6 -46.41 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 119.145 -0.455 . . . . 0.0 111.396 -176.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.444 ' HB2' HD11 ' A' ' 57' ' ' ILE . 75.7 mm-40 -64.45 -36.87 85.58 Favored 'General case' 0 C--O 1.221 -0.423 0 O-C-N 123.405 0.441 . . . . 0.0 112.056 -177.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.451 ' ND1' ' HA ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -77.49 -24.23 50.16 Favored 'General case' 0 CA--C 1.552 1.038 0 O-C-N 123.708 0.63 . . . . 0.0 111.069 -177.219 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 51.1 mmm -92.28 -25.34 18.64 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 123.099 0.56 . . . . 0.0 112.356 -175.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.1 p -89.9 -25.06 21.17 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.833 177.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.12 147.35 32.76 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 120.873 0.368 . . . . 0.0 110.308 174.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.239 -178.248 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.2 mt -74.86 -42.97 56.92 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 176.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.4 ttt 60.66 36.66 19.54 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 124.825 1.328 . . . . 0.0 111.091 174.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.403 ' HA ' ' HE2' ' A' ' 4' ' ' LYS . 10.0 mmpt? 64.94 99.29 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.183 1.393 . . . . 0.0 112.099 -175.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -70.52 143.5 51.64 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 114.213 -1.358 . . . . 0.0 111.285 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 p -102.74 107.82 18.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.301 177.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -128.33 15.44 6.65 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.838 174.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.469 ' O ' HG12 ' A' ' 12' ' ' ILE . 22.4 m -79.78 -179.76 7.1 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.27 -178.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -18.18 63.97 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.934 0.494 . . . . 0.0 111.542 177.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.517 ' HA ' HH11 ' A' ' 13' ' ' ARG . 10.1 tp10 -63.3 -37.33 86.82 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.168 0.987 . . . . 0.0 111.083 172.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -79.87 -30.33 40.22 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.221 178.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.559 HG21 ' HA ' ' A' ' 69' ' ' VAL . 18.3 mm -72.05 -22.41 21.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.254 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.517 HH11 ' HA ' ' A' ' 10' ' ' GLU . 63.1 mtt85 -58.44 -48.37 80.93 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 173.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -81.67 -26.27 34.86 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.752 0.31 . . . . 0.0 111.2 -178.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.433 ' O ' ' HD2' ' A' ' 19' ' ' PHE . . . -70.61 -30.5 67.18 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.021 174.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -70.54 -35.31 73.06 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 123.054 0.542 . . . . 0.0 110.384 175.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.9 mtp85 -69.7 -24.2 63.54 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -175.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.0 p -87.94 -20.35 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 CA-C-O 120.915 0.388 . . . . 0.0 111.285 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.433 ' HD2' ' O ' ' A' ' 15' ' ' ALA . 49.3 m-85 -91.75 -26.74 18.44 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 122.322 -0.236 . . . . 0.0 111.271 177.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -85.79 109.85 18.95 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 172.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -74.93 -25.96 59.27 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.865 -1.061 . . . . 0.0 113.708 -174.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -110.32 -11.75 14.5 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -173.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.57 24.61 67.29 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-O 118.831 -0.983 . . . . 0.0 115.144 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -87.46 -18.81 29.05 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 119.272 1.536 . . . . 0.0 112.838 -175.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.08 10.44 34.42 Favored Glycine 0 C--O 1.219 -0.8 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.196 -178.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.406 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 45.2 m-85 -138.01 130.26 28.99 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.506 0.722 . . . . 0.0 109.475 174.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.4 mt -94.95 108.59 21.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 175.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 m -84.16 172.78 11.61 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.69 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.566 ' O ' ' HB2' ' A' ' 33' ' ' ARG . . . -70.65 -26.21 63.35 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.846 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.49 -29.51 52.61 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.62 0.247 . . . . 0.0 111.221 175.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 35' ' ' VAL . 51.7 mt-10 -70.63 -54.41 12.08 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.119 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.0 tp -65.69 -27.1 68.1 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 123.872 0.732 . . . . 0.0 111.59 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.566 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 29.5 ttt-85 -62.91 -44.36 96.29 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.45 0.7 . . . . 0.0 110.52 178.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -75.0 -32.79 61.73 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.814 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 31' ' ' GLU . 66.8 t -68.0 -41.5 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 123.093 0.246 . . . . 0.0 110.868 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.8 mmt -65.61 -40.0 92.13 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.79 0.329 . . . . 0.0 111.72 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 39.8 m -66.57 -35.74 80.95 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.061 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -68.84 -39.94 79.68 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.716 0.807 . . . . 0.0 111.849 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.525 ' HB2' ' HG2' ' A' ' 41' ' ' GLU . 89.8 mt -74.48 -21.21 59.69 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.922 -179.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.9 18.87 42.12 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.596 -0.602 . . . . 0.0 111.596 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.525 ' HG2' ' HB2' ' A' ' 39' ' ' LEU . 8.5 mm-40 -78.38 -36.82 45.41 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 175.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.3 tttp 58.6 78.8 0.24 Allowed 'General case' 0 C--N 1.349 0.583 0 O-C-N 125.306 1.629 . . . . 0.0 111.156 174.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.502 ' HG ' ' HB2' ' A' ' 47' ' ' GLU . 3.9 tp -109.33 141.47 41.62 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.466 -175.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.2 p -77.25 169.15 18.84 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.175 0.297 . . . . 0.0 110.575 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.471 ' HB2' HH21 ' A' ' 33' ' ' ARG . 35.6 t70 -62.95 -32.72 74.09 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 123.285 0.365 . . . . 0.0 111.167 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.543 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 42.6 mt-10 -67.24 -49.81 63.05 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.315 176.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.502 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 51.0 mt-10 -68.35 -32.49 72.63 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -175.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.565 HG21 ' HA ' ' A' ' 33' ' ' ARG . 79.9 t -67.51 -41.72 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 175.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.477 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 37.0 t70 -60.44 -40.32 90.67 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.719 0.637 . . . . 0.0 111.685 179.041 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 34.2 mt-10 -66.95 -35.05 79.11 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.655 0.597 . . . . 0.0 111.368 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 87.8 mmm -74.32 -30.86 62.23 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 123.395 0.434 . . . . 0.0 111.85 178.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.4 mm -66.65 -52.25 47.69 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.953 0 O-C-N 123.423 0.452 . . . . 0.0 110.59 174.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 49' ' ' ASP . 2.6 ptt180 -71.11 -21.74 62.17 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -177.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -81.09 -26.55 36.14 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.07 0.462 . . . . 0.0 110.751 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.53 -17.56 26.81 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 122.139 -0.351 . . . . 0.0 111.204 175.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -88.92 119.54 29.53 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.243 0.544 . . . . 0.0 110.545 -176.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 79.2 mt -79.92 -46.06 22.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.617 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -88.71 -12.44 42.32 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -166.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.84 53.33 11.69 Favored Glycine 0 CA--C 1.535 1.298 0 N-CA-C 114.439 0.536 . . . . 0.0 114.439 -177.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.4 p30 -109.73 -15.53 14.12 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 117.493 0.647 . . . . 0.0 111.72 174.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.18 -2.93 59.79 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.538 -0.59 . . . . 0.0 113.983 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.406 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 7.3 mt-30 -138.01 131.85 31.33 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-O 122.25 1.024 . . . . 0.0 110.559 177.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 26.1 t -91.5 103.23 14.3 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.318 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.009 -169.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -79.3 179.58 7.32 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.718 -178.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -50.18 -51.94 39.68 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -175.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.01 -27.01 61.53 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -176.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -69.35 -39.12 78.32 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 122.856 0.462 . . . . 0.0 110.996 177.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -73.09 -34.89 66.46 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.224 177.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.559 ' HA ' HG21 ' A' ' 12' ' ' ILE . 24.1 t -64.77 -41.77 93.12 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.561 0 O-C-N 123.482 0.488 . . . . 0.0 111.027 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -68.36 -27.96 66.71 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -83.01 -23.29 33.34 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 120.669 0.271 . . . . 0.0 110.85 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.473 ' HB3' HD12 ' A' ' 12' ' ' ILE . 75.7 mmm -92.63 -48.09 6.77 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -176.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.9 p -75.22 -29.53 60.3 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 122.332 0.253 . . . . 0.0 111.613 -175.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.64 28.73 4.9 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.153 176.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.2 tttm . . . . . 0 N--CA 1.476 0.851 0 C-N-CA 124.896 1.278 . . . . 0.0 112.529 171.8 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.9 p . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 120.522 0.201 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 2' ' ' LEU . 3.3 mm? -78.99 -37.19 39.9 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.028 174.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 87.9 mmm -78.3 108.95 12.01 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.047 172.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -136.04 131.66 35.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.372 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -90.79 114.04 26.32 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.6 t -157.52 128.44 6.6 Favored 'General case' 0 C--O 1.201 -1.45 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -76.75 -3.37 37.83 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.429 -0.794 . . . . 0.0 113.124 -178.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.2 m -76.47 -175.87 3.47 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 122.8 0.44 . . . . 0.0 111.507 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 10.6 pt-20 -59.95 -16.47 30.28 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -177.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -68.69 -36.93 79.14 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.312 1.045 . . . . 0.0 112.301 -177.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -84.83 -23.12 29.2 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.88 0.371 . . . . 0.0 110.265 174.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.507 HG21 ' HA ' ' A' ' 69' ' ' VAL . 19.6 mm -70.57 -22.44 23.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.08 176.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 95.5 mtt-85 -58.66 -46.69 86.62 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.116 0.566 . . . . 0.0 111.156 171.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -76.46 -36.39 57.91 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.868 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.405 ' O ' ' HD1' ' A' ' 19' ' ' PHE . . . -64.21 -33.55 76.07 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 122.964 0.506 . . . . 0.0 111.585 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -65.54 -31.89 73.2 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.086 0.554 . . . . 0.0 111.508 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.4 mmm180 -72.74 -30.38 64.11 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.654 -177.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -79.49 -30.79 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 O-C-N 123.143 0.277 . . . . 0.0 110.495 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.405 ' HD1' ' O ' ' A' ' 15' ' ' ALA . 30.6 m-85 -83.64 -25.11 31.05 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.756 -177.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -89.23 110.75 21.47 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 174.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' A' ' 21' ' ' LYS . 10.7 mmpt? -73.3 -22.39 60.36 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -175.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -112.79 -11.52 13.47 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.619 0.599 . . . . 0.0 112.619 -176.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.45 21.79 68.89 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-O 118.848 -0.974 . . . . 0.0 115.44 176.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -90.13 -18.75 25.24 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.273 1.536 . . . . 0.0 113.914 -173.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.78 13.2 26.26 Favored Glycine 0 CA--C 1.523 0.533 0 C-N-CA 120.445 -0.883 . . . . 0.0 113.255 -178.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.564 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 48.6 m-85 -137.69 130.81 30.49 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 175.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 63' ' ' VAL . 55.5 mt -101.21 107.33 21.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 174.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.5 m -83.58 176.08 9.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.696 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.533 ' O ' ' HB2' ' A' ' 33' ' ' ARG . . . -65.98 -36.67 83.95 Favored 'General case' 0 C--O 1.212 -0.879 0 O-C-N 123.188 0.305 . . . . 0.0 111.458 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.05 -32.64 70.85 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 123.294 0.371 . . . . 0.0 111.889 178.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 35' ' ' VAL . 49.4 mt-10 -70.74 -52.74 18.88 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.572 -178.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.6 tp -66.3 -30.86 71.36 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.876 0.735 . . . . 0.0 111.123 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.533 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 33.0 ttm180 -58.39 -47.04 85.17 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.347 1.059 . . . . 0.0 111.558 176.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -70.76 -33.57 70.92 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.486 -177.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.5 HG22 ' HE3' ' A' ' 21' ' ' LYS . 23.3 t -66.87 -43.72 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 123.244 0.34 . . . . 0.0 110.547 176.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.401 ' HG3' HD22 ' A' ' 43' ' ' LEU . 23.6 mmt -64.09 -37.86 88.97 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.867 0.467 . . . . 0.0 111.806 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 54.6 m -66.06 -38.44 88.36 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.012 176.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -71.29 -34.92 71.07 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.425 0.69 . . . . 0.0 112.187 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 95.8 mt -72.53 -27.43 62.23 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 122.685 0.394 . . . . 0.0 111.794 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.5 10.41 44.37 Favored Glycine 0 C--N 1.335 0.483 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 -174.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -76.09 -24.76 55.04 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 123.636 0.774 . . . . 0.0 111.313 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.1 pttt 45.38 53.18 8.43 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 126.05 1.74 . . . . 0.0 113.636 177.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.401 HD22 ' HG3' ' A' ' 36' ' ' MET . 4.4 mp -81.78 130.67 35.14 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.336 178.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.26 176.49 7.34 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.247 179.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.14 -39.54 93.15 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 122.22 -0.3 . . . . 0.0 111.7 -177.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -70.59 -32.87 70.41 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.366 0.416 . . . . 0.0 111.557 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -70.0 -44.43 69.36 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.38 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.505 HG21 ' HA ' ' A' ' 33' ' ' ARG . 60.4 t -69.44 -33.49 57.62 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.608 0 O-C-N 123.515 0.51 . . . . 0.0 110.374 177.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.471 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 23.8 t70 -58.66 -46.77 86.45 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 122.935 0.494 . . . . 0.0 111.645 177.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -71.44 -27.23 63.13 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 123.378 0.424 . . . . 0.0 112.058 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.1 mmt -79.42 -27.45 41.74 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.414 HD13 ' HA ' ' A' ' 52' ' ' ILE . 16.6 mm -66.71 -50.21 67.88 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.845 0 O-C-N 123.623 0.577 . . . . 0.0 109.991 174.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 49' ' ' ASP . 8.5 ptt180 -73.03 -21.87 60.73 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -72.16 -32.39 66.82 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 120.974 0.416 . . . . 0.0 110.646 173.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.75 -21.06 24.01 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.798 178.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -92.44 121.92 34.38 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.553 -173.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 60.4 mt -79.39 -46.55 23.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.756 -176.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -88.56 -11.49 45.48 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -169.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.09 42.86 57.99 Favored Glycine 0 CA--C 1.538 1.497 0 N-CA-C 115.182 0.833 . . . . 0.0 115.182 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 45.6 p30 -99.79 -16.12 18.2 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 117.66 0.73 . . . . 0.0 112.155 178.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.57 -6.06 67.6 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-O 119.752 -0.471 . . . . 0.0 113.883 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.564 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 11.1 mt-30 -128.68 131.09 47.98 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 121.552 0.691 . . . . 0.0 109.872 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.401 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 58.8 t -96.97 109.76 23.71 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.182 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.59 -170.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -65.25 -179.3 0.57 Allowed 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.508 0.671 . . . . 0.0 112.086 177.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -62.71 -45.81 91.02 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.882 167.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -60.87 -38.1 84.44 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.413 0.685 . . . . 0.0 112.76 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -76.25 -32.75 59.04 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 122.899 0.479 . . . . 0.0 111.767 -177.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -71.99 -42.18 66.78 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.514 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.507 ' HA ' HG21 ' A' ' 12' ' ' ILE . 72.3 t -62.53 -39.22 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 O-C-N 123.531 0.519 . . . . 0.0 111.134 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -67.34 -31.6 71.98 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -81.57 -26.49 34.95 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 122.977 0.173 . . . . 0.0 111.294 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 70.9 mmm -83.38 -27.99 29.26 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -178.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.0 p -90.48 -32.74 16.25 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 111.582 0.215 . . . . 0.0 111.582 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.36 -44.51 29.14 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 120.567 0.222 . . . . 0.0 110.829 175.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 85.3 tttt . . . . . 0 N--CA 1.467 0.402 0 O-C-N 125.482 1.739 . . . . 0.0 112.014 173.641 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.7 p . . . . . 0 N--CA 1.471 0.606 0 CA-C-O 120.878 0.37 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.6 mt -76.87 -36.13 56.97 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.157 174.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 88.7 mtp -94.56 91.34 6.54 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.693 0.759 . . . . 0.0 109.39 171.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -95.93 19.59 11.27 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 114.709 -1.132 . . . . 0.0 109.314 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -64.03 -75.05 0.09 Allowed 'General case' 0 C--N 1.344 0.332 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.754 177.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.8 p 48.2 34.8 4.72 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 125.502 1.521 . . . . 0.0 114.052 171.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -80.37 9.52 5.73 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -166.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.7 p -80.83 -170.06 2.49 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.367 0.604 . . . . 0.0 111.628 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 8.0 mp0 -71.2 -14.24 62.19 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.839 -171.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.477 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 3.4 mp0 -79.25 -27.17 42.37 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 122.546 0.339 . . . . 0.0 111.341 -177.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -83.31 -25.96 31.04 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 172.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.544 HG21 ' HA ' ' A' ' 69' ' ' VAL . 39.0 mm -68.49 -30.74 48.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 172.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.477 ' HD2' ' HA ' ' A' ' 10' ' ' GLU . 94.0 mtt180 -65.93 -38.89 89.83 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.216 0.606 . . . . 0.0 111.187 171.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -72.74 -34.53 67.11 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.782 0.676 . . . . 0.0 110.862 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.26 -37.23 83.15 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 122.845 0.458 . . . . 0.0 110.449 174.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -64.46 -27.22 68.84 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.528 0.731 . . . . 0.0 110.94 177.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 17' ' ' ARG . 3.3 mmp_? -73.53 -25.85 60.6 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 178.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 t -82.16 -42.05 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 176.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -73.13 -32.54 64.97 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.763 -1.108 . . . . 0.0 112.092 -174.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -91.85 102.85 15.44 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.09 0.471 . . . . 0.0 109.752 175.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.473 ' HE2' HG22 ' A' ' 35' ' ' VAL . 73.4 mmtt -77.67 -29.7 51.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.304 -0.862 . . . . 0.0 113.032 -178.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -96.49 -12.02 24.73 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -173.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.5 27.69 67.11 Favored Glycine 0 CA--C 1.536 1.393 0 N-CA-C 115.41 0.924 . . . . 0.0 115.41 177.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -92.99 -16.14 25.42 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 118.866 1.333 . . . . 0.0 113.045 -175.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.14 13.38 49.32 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.953 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -138.75 130.4 27.58 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.795 0.838 . . . . 0.0 109.376 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.535 ' HB ' ' HB ' ' A' ' 63' ' ' VAL . 65.3 mt -99.16 110.53 26.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.0 p -89.61 171.64 9.53 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.127 176.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.552 ' O ' ' HB2' ' A' ' 33' ' ' ARG . . . -71.04 -22.4 62.14 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.542 178.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.94 -35.56 72.27 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 122.427 0.291 . . . . 0.0 111.636 176.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 35' ' ' VAL . 43.3 mt-10 -74.16 -51.18 16.35 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.663 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.8 tp -63.06 -30.23 71.43 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 124.106 0.878 . . . . 0.0 111.746 -178.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.552 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 20.8 ttt-85 -62.46 -43.95 97.58 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.725 0.81 . . . . 0.0 110.974 176.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -73.38 -34.5 65.59 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.206 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.473 HG22 ' HE2' ' A' ' 21' ' ' LYS . 96.5 t -69.25 -45.95 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 123.347 0.404 . . . . 0.0 110.792 -177.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 30.3 mmt -61.31 -45.14 95.71 Favored 'General case' 0 C--O 1.223 -0.341 0 O-C-N 123.313 0.383 . . . . 0.0 111.738 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 m -70.16 -29.56 66.49 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -74.58 -42.51 58.59 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.003 0.521 . . . . 0.0 111.527 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.2 mp -73.77 -15.01 61.21 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -178.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.48 5.81 42.13 Favored Glycine 0 C--N 1.337 0.603 0 C-N-CA 121.296 -0.478 . . . . 0.0 113.171 176.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -76.38 -42.78 43.31 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 122.712 0.405 . . . . 0.0 110.066 178.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt 54.3 69.54 0.71 Allowed 'General case' 0 N--CA 1.473 0.692 0 O-C-N 124.803 1.314 . . . . 0.0 111.607 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.419 ' HG ' ' HB2' ' A' ' 47' ' ' GLU . 11.0 tp -89.51 143.9 26.45 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.757 -173.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.03 158.53 35.5 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.475 0.485 . . . . 0.0 110.569 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -55.31 -47.67 75.26 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.324 1.05 . . . . 0.0 113.009 -177.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -72.1 -27.08 62.42 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 178.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.419 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 32.8 mm-40 -72.07 -35.49 69.28 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 123.258 0.349 . . . . 0.0 111.063 176.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 70.6 t -64.06 -39.99 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 123.471 0.708 . . . . 0.0 110.419 174.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -59.91 -39.13 84.37 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.381 0.672 . . . . 0.0 111.154 175.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.54 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 44.8 mt-10 -73.0 -31.21 64.35 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.393 -179.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 72.2 mmm -73.85 -32.23 63.55 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.095 0.158 . . . . 0.0 110.655 175.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.5 mm -68.65 -46.46 79.81 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.631 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.029 175.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.54 ' HG2' ' HA ' ' A' ' 50' ' ' GLU . 17.5 ptm180 -71.88 -24.91 61.74 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -176.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.41 ' HB3' ' CE1' ' A' ' 71' ' ' HIS . 25.5 mt-10 -71.22 -38.35 72.01 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-O 120.791 0.329 . . . . 0.0 111.243 174.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.53 -18.13 36.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.872 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -86.22 115.17 23.6 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.923 0.868 . . . . 0.0 109.271 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.445 HD11 ' HB2' ' A' ' 70' ' ' GLN . 85.3 mt -79.49 -36.34 17.65 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.031 0 CA-C-N 114.207 -1.361 . . . . 0.0 111.059 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -100.28 -12.37 19.56 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 -170.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.15 59.62 5.32 Favored Glycine 0 CA--C 1.54 1.635 0 N-CA-C 114.935 0.734 . . . . 0.0 114.935 -176.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.1 p30 -114.6 -15.52 11.97 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 118.124 0.962 . . . . 0.0 111.949 175.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.96 -10.46 44.39 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 121.701 -0.285 . . . . 0.0 113.304 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -126.57 157.5 38.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 122.153 0.977 . . . . 0.0 110.985 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.535 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 54.0 t -113.68 107.46 22.99 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -173.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -76.6 -173.04 2.41 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -178.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -65.72 -50.93 63.04 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.32 177.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -59.11 -34.03 71.54 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.284 1.034 . . . . 0.0 112.448 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -76.46 -36.78 57.69 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.604 -177.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -70.09 -44.83 68.25 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.734 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.544 ' HA ' HG21 ' A' ' 12' ' ' ILE . 55.7 t -63.88 -46.91 92.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 O-C-N 123.886 0.741 . . . . 0.0 111.884 -176.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.445 ' HB2' HD11 ' A' ' 57' ' ' ILE . 17.2 mm100 -68.94 -24.23 64.25 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -176.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.41 ' CE1' ' HB3' ' A' ' 54' ' ' GLU . 84.0 t60 -83.03 -33.66 26.43 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 119.765 -0.159 . . . . 0.0 110.976 175.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 60.4 mmm -76.09 -38.51 56.88 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -175.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.5 p -86.66 -26.51 24.29 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -176.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.26 -31.04 17.15 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.79 0.329 . . . . 0.0 111.366 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.2 tttm . . . . . 0 CA--C 1.538 0.481 0 CA-C-O 122.056 0.931 . . . . 0.0 110.199 -176.711 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 120.423 0.154 . . . . 0.0 111.414 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.2 mt -111.76 145.03 40.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.636 0.255 . . . . 0.0 110.632 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 59.8 ttp -108.24 -52.75 2.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.727 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.0 mttp 63.25 -171.5 0.17 Allowed 'General case' 0 N--CA 1.481 1.095 0 O-C-N 124.545 1.153 . . . . 0.0 112.407 -176.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -73.9 -53.27 10.53 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 171.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.4 m -120.5 137.75 54.2 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 114.208 -1.36 . . . . 0.0 107.376 172.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -81.86 14.6 2.63 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 122.938 0.495 . . . . 0.0 112.289 -173.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.5 m 68.19 -121.81 0.18 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.617 1.567 . . . . 0.0 111.866 173.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -78.04 -25.17 47.67 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.745 0.783 . . . . 0.0 109.915 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.555 ' HA ' ' HG3' ' A' ' 13' ' ' ARG . 46.2 mt-10 -77.83 -21.06 52.08 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.533 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -61.52 -36.04 79.41 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.739 0.781 . . . . 0.0 110.263 167.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.534 HG21 ' HA ' ' A' ' 69' ' ' VAL . 19.2 mm -75.68 -21.84 16.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 114.455 -1.248 . . . . 0.0 111.005 -174.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.555 ' HG3' ' HA ' ' A' ' 10' ' ' GLU . 52.6 mtm180 -57.9 -43.46 86.15 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.474 0.309 . . . . 0.0 111.399 175.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.48 -37.94 77.48 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.75 0.82 . . . . 0.0 111.539 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.52 ' O ' ' HD1' ' A' ' 19' ' ' PHE . . . -66.03 -42.16 89.98 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 123.051 0.219 . . . . 0.0 110.67 175.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -61.84 -30.21 70.69 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.161 0.985 . . . . 0.0 111.399 175.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -74.88 -23.65 58.42 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.17 0.988 . . . . 0.0 111.721 -175.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -75.86 -41.42 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 173.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.52 ' HD1' ' O ' ' A' ' 15' ' ' ALA . 60.9 m-85 -78.21 -33.8 49.72 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 114.64 -1.164 . . . . 0.0 112.115 -170.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -87.5 108.21 18.92 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 173.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.503 ' HE2' HG22 ' A' ' 35' ' ' VAL . 72.3 mmtt -78.58 -25.25 45.24 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.62 0.971 . . . . 0.0 113.62 -176.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -100.99 -11.27 19.82 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -177.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.86 40.94 93.72 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 114.844 0.697 . . . . 0.0 114.844 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -98.84 -18.22 18.03 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 118.492 1.146 . . . . 0.0 112.314 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.66 10.96 34.14 Favored Glycine 0 C--O 1.222 -0.654 0 C-N-CA 120.61 -0.805 . . . . 0.0 113.544 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.537 ' CE1' ' HB3' ' A' ' 64' ' ' ASN . 39.4 m-85 -141.46 130.3 23.01 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 117.162 0.481 . . . . 0.0 110.155 174.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.4 mt -100.71 119.47 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.3 p -96.69 178.49 5.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.134 175.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.77 -23.08 60.76 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.891 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.88 -38.01 70.08 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 120.474 0.178 . . . . 0.0 110.922 176.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 35' ' ' VAL . 41.1 mt-10 -70.62 -49.63 45.57 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.957 0.786 . . . . 0.0 111.043 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.4 tp -66.97 -28.77 68.54 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 123.97 0.794 . . . . 0.0 112.095 -176.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.607 ' HA ' HG21 ' A' ' 48' ' ' VAL . 56.5 ttt-85 -67.88 -37.53 81.9 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.129 0.172 . . . . 0.0 110.889 178.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -69.59 -39.39 77.3 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.088 176.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.505 HG21 ' HA ' ' A' ' 19' ' ' PHE . 43.0 t -68.22 -41.93 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 O-C-N 123.249 0.343 . . . . 0.0 111.355 -178.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.8 mmt -62.48 -46.99 85.94 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 122.622 0.369 . . . . 0.0 111.835 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.7 m -72.75 -24.84 61.01 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.584 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.403 HD22 HD22 ' A' ' 39' ' ' LEU . 8.3 t30 -71.03 -45.25 64.23 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 122.876 0.47 . . . . 0.0 110.764 175.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.403 HD22 HD22 ' A' ' 38' ' ' ASN . 3.6 mm? -73.55 -20.12 60.72 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.424 -175.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.22 18.38 9.25 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.654 -0.784 . . . . 0.0 113.181 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -84.3 -43.58 14.67 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 176.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? 59.43 90.31 0.05 Allowed 'General case' 0 N--CA 1.473 0.69 0 O-C-N 125.301 1.625 . . . . 0.0 109.478 -174.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.499 ' HG ' ' HB2' ' A' ' 47' ' ' GLU . 5.3 tp -124.84 135.89 53.33 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.753 -174.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.1 p -77.41 168.6 19.75 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.428 0.455 . . . . 0.0 110.164 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -63.12 -30.48 71.63 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -177.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 40.2 mt-10 -72.17 -41.83 66.61 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.67 0.606 . . . . 0.0 111.166 177.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.499 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 47.7 mt-10 -71.51 -33.12 68.94 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 123.448 0.468 . . . . 0.0 111.057 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.607 HG21 ' HA ' ' A' ' 33' ' ' ARG . 45.1 t -70.63 -35.27 60.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 123.697 0.799 . . . . 0.0 111.001 175.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -67.1 -31.91 72.71 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 122.61 0.364 . . . . 0.0 111.263 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 7.7 mm-40 -65.67 -35.84 81.93 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.655 0.382 . . . . 0.0 110.711 173.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 94.8 mmm -76.72 -31.56 57.23 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.694 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.2 mm -67.45 -46.08 84.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.82 0 O-C-N 123.581 0.551 . . . . 0.0 110.669 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.9 ptt85 -73.68 -21.0 60.39 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 123.42 0.45 . . . . 0.0 111.971 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -77.05 -31.58 56.28 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 122.819 0.448 . . . . 0.0 110.693 175.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.55 -16.11 29.4 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.938 178.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -87.04 122.53 30.99 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.333 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 74.2 mt -79.88 -34.82 15.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.069 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -104.18 -11.1 17.46 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -171.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.89 41.17 62.73 Favored Glycine 0 CA--C 1.538 1.518 0 CA-C-O 119.162 -0.799 . . . . 0.0 114.964 -177.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.5 p30 -94.46 -16.01 23.74 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 118.367 1.084 . . . . 0.0 112.462 176.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.07 3.7 56.76 Favored Glycine 0 CA--C 1.527 0.824 0 O-C-N 123.214 0.321 . . . . 0.0 113.332 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.423 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 4.1 mt-30 -135.86 137.17 41.19 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.894 0.855 . . . . 0.0 109.784 178.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.8 t -104.92 109.12 26.62 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.693 -175.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.537 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 4.4 p30 -87.38 -175.96 5.45 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.253 177.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.4 ' O ' HG23 ' A' ' 69' ' ' VAL . 57.1 t80 -51.54 -53.41 38.13 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 123.906 0.882 . . . . 0.0 113.226 -177.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.55 -28.61 63.98 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -175.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.35 -36.44 76.9 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 123.558 0.536 . . . . 0.0 110.895 175.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -75.99 -40.17 54.3 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.084 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.534 ' HA ' HG21 ' A' ' 12' ' ' ILE . 72.4 t -61.33 -44.04 97.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 122.877 0.471 . . . . 0.0 110.748 177.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -67.79 -20.76 65.24 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -84.04 -28.15 27.84 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 122.164 -0.335 . . . . 0.0 110.649 175.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 79.2 mmm -86.28 -49.08 7.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.549 -175.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.6 p -83.4 -36.55 24.2 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -173.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.44 164.82 14.14 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.238 0.542 . . . . 0.0 111.649 -176.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.4 tttt . . . . . 0 C--O 1.235 0.334 0 CA-C-N 114.66 -1.154 . . . . 0.0 111.451 -173.963 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.2 p . . . . . 0 N--CA 1.475 0.791 0 CA-C-O 119.307 -0.377 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 52.3 tp 60.0 81.91 0.17 Allowed 'General case' 0 N--CA 1.478 0.958 0 O-C-N 124.543 1.152 . . . . 0.0 109.939 -171.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 88.4 mmm -96.62 82.28 3.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.654 -170.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.421 ' HE3' ' HB2' ' A' ' 4' ' ' LYS . 41.7 mtmt 53.86 86.23 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.409 1.483 . . . . 0.0 113.328 179.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -87.63 103.77 15.89 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 173.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.413 ' HA ' ' OE2' ' A' ' 11' ' ' GLU . 16.4 m -113.51 116.59 29.81 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.227 -174.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -89.31 -87.57 0.17 Allowed 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -172.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.521 ' O ' HG12 ' A' ' 12' ' ' ILE . 79.9 p -144.5 -161.51 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -169.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.8 -16.4 62.18 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 122.735 0.414 . . . . 0.0 111.422 178.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.559 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 43.3 mt-10 -71.73 -27.56 63.09 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.882 0.473 . . . . 0.0 111.222 174.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.413 ' OE2' ' HA ' ' A' ' 6' ' ' THR . 30.4 tt0 -85.06 -27.33 26.41 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.048 0.452 . . . . 0.0 110.141 173.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.521 HG12 ' O ' ' A' ' 8' ' ' SER . 31.8 mm -68.93 -21.94 26.0 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.901 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.1 176.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.559 ' HD3' ' HA ' ' A' ' 10' ' ' GLU . 16.2 mtp180 -56.38 -41.63 76.54 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.067 0.547 . . . . 0.0 112.143 168.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -81.37 -35.27 31.02 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.581 0.352 . . . . 0.0 111.16 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.82 -26.52 66.11 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.924 0.392 . . . . 0.0 111.327 177.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -69.87 -32.67 71.16 Favored 'General case' 0 C--O 1.207 -1.162 0 C-N-CA 123.413 0.685 . . . . 0.0 110.218 173.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -80.05 -14.84 58.23 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -177.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.41 -34.36 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 172.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -87.91 -44.57 10.95 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.496 -175.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -84.5 107.09 16.55 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 174.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -78.1 -33.76 50.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.783 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -91.42 -12.32 35.11 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -171.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.14 46.4 94.07 Favored Glycine 0 CA--C 1.529 0.961 0 CA-C-O 119.372 -0.682 . . . . 0.0 114.624 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -99.84 -14.52 18.75 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.142 0.971 . . . . 0.0 111.891 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.442 ' O ' ' HA ' ' A' ' 64' ' ' ASN . . . 100.1 10.58 45.19 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.781 -178.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.49 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 52.5 m-85 -140.66 130.52 24.48 Favored 'General case' 0 CA--C 1.524 -0.033 0 C-N-CA 123.396 0.678 . . . . 0.0 110.419 178.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.4 mt -95.8 107.41 19.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 169.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.7 p -84.26 177.43 8.19 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.354 177.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.466 ' O ' ' HB2' ' A' ' 33' ' ' ARG . . . -70.61 -21.51 62.64 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.697 178.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.22 -36.19 63.93 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.487 0.184 . . . . 0.0 110.92 175.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -74.22 -44.61 52.52 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.863 -177.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.403 HD23 HG13 ' A' ' 48' ' ' VAL . 23.3 tp -69.61 -31.38 69.48 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.504 0.502 . . . . 0.0 110.902 179.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 29' ' ' ALA . 63.4 ttt-85 -65.82 -34.18 77.57 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.143 0.577 . . . . 0.0 111.165 176.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -78.94 -41.9 28.23 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.031 -175.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.454 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 27.7 m -76.78 -33.73 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -174.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.507 ' HG3' HD22 ' A' ' 43' ' ' LEU . 21.2 mmt -66.85 -50.54 62.18 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 117.866 0.303 . . . . 0.0 110.993 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.7 m -60.47 -32.04 71.02 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 124.209 0.943 . . . . 0.0 111.708 177.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -72.16 -33.8 67.99 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 122.82 0.448 . . . . 0.0 111.775 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 95.3 mt -73.5 -25.29 60.37 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 122.407 0.283 . . . . 0.0 111.746 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.52 -5.31 8.66 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.366 177.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -98.37 132.5 43.79 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -104.6 76.41 1.29 Allowed 'General case' 0 C--N 1.295 -1.783 0 CA-C-O 121.677 0.751 . . . . 0.0 110.758 -170.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.507 HD22 ' HG3' ' A' ' 36' ' ' MET . 4.9 mp -81.93 122.7 28.09 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.085 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.1 p -76.3 177.21 7.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.718 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -65.73 -28.89 69.38 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -71.23 -45.94 62.2 Favored 'General case' 0 C--O 1.223 -0.339 0 O-C-N 123.85 0.719 . . . . 0.0 109.915 175.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.3 -43.0 87.51 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.925 0.765 . . . . 0.0 112.207 -177.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.403 HG13 HD23 ' A' ' 32' ' ' LEU . 93.0 t -64.44 -41.8 93.4 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.448 0 O-C-N 123.855 0.722 . . . . 0.0 110.779 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -58.62 -43.85 89.79 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.235 0.614 . . . . 0.0 112.112 178.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.493 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 47.3 mt-10 -75.2 -29.82 60.44 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.68 -178.338 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 93.0 mmm -73.55 -31.08 63.46 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 121.977 0.111 . . . . 0.0 111.244 175.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 21.2 mm -68.71 -48.87 69.17 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.754 0 O-C-N 123.606 0.566 . . . . 0.0 110.828 175.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.493 ' HG2' ' HA ' ' A' ' 50' ' ' GLU . 14.1 ptp180 -73.16 -25.65 60.89 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -173.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -85.78 -11.05 54.51 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.986 0.422 . . . . 0.0 111.366 177.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.97 -13.64 19.01 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.691 173.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -94.97 121.61 36.76 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.348 -175.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 82.1 mt -79.69 -46.83 22.47 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.554 -175.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -86.12 -11.89 51.45 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -171.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.87 43.75 57.68 Favored Glycine 0 CA--C 1.534 1.249 0 N-CA-C 114.792 0.677 . . . . 0.0 114.792 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 45.4 p30 -99.98 -15.82 18.16 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.032 0.916 . . . . 0.0 111.664 176.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.44 0.86 62.65 Favored Glycine 0 CA--C 1.532 1.131 0 CA-C-O 119.668 -0.518 . . . . 0.0 114.231 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.49 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 23.3 mt-30 -136.07 131.03 34.34 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.049 0.925 . . . . 0.0 109.975 175.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 54.6 t -90.09 109.66 20.93 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.268 -170.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' A' ' 25' ' ' GLY . 50.0 m-80 -64.04 178.79 0.61 Allowed 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.664 0.745 . . . . 0.0 112.329 177.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -58.24 -47.08 84.64 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.033 165.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.543 ' HG3' ' HG3' ' A' ' 67' ' ' GLU . 7.9 pt-20 -58.87 -40.83 85.52 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.38 0.672 . . . . 0.0 112.389 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.543 ' HG3' ' HG3' ' A' ' 66' ' ' GLU . 52.2 mt-10 -76.88 -32.82 57.74 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.062 -174.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -77.11 -30.28 55.17 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-O 118.993 -0.527 . . . . 0.0 110.559 176.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.516 ' HA ' HG21 ' A' ' 12' ' ' ILE . 31.1 t -64.27 -46.84 92.12 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.92 0 CA-C-N 117.984 0.356 . . . . 0.0 110.105 174.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -71.01 -24.65 62.41 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.34 0.59 . . . . 0.0 112.044 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -73.71 -33.03 64.21 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.107 0.963 . . . . 0.0 110.654 173.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 63.5 mmm -91.08 -23.54 20.29 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -175.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.6 p -96.18 -19.98 18.93 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -177.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -116.34 -163.35 0.9 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.207 176.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.1 mttp . . . . . 0 CA--C 1.534 0.341 0 CA-C-O 121.157 0.504 . . . . 0.0 111.378 -177.164 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 N--CA 1.476 0.836 0 CA-C-O 120.808 0.337 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 88.3 mt -116.15 114.55 24.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.351 -177.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.3 mmt -94.88 80.56 3.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.768 0.794 . . . . 0.0 110.873 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -114.05 -81.24 0.6 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.468 -1.242 . . . . 0.0 108.129 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 72.1 -25.59 0.18 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 125.851 1.661 . . . . 0.0 115.226 168.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.476 ' HB ' HD13 ' A' ' 12' ' ' ILE . 16.9 p -65.89 105.7 1.37 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.733 0.813 . . . . 0.0 111.77 -176.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -103.79 -61.59 1.41 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.246 -172.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.0 m -91.1 163.65 14.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.48 -172.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -63.99 -32.54 74.12 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.332 0.653 . . . . 0.0 111.067 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -72.19 -22.93 61.2 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.855 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -84.69 -24.03 29.12 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 120.631 0.253 . . . . 0.0 110.649 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.58 HG21 ' HA ' ' A' ' 69' ' ' VAL . 18.7 mm -71.0 -22.86 23.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.224 176.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.521 ' HG2' ' CE1' ' A' ' 65' ' ' TYR . 56.4 mtm180 -60.07 -39.96 87.87 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.907 0.483 . . . . 0.0 111.612 177.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -76.56 -39.2 53.49 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.583 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.19 -35.26 79.72 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 123.814 0.696 . . . . 0.0 111.312 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -62.23 -35.24 78.31 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.692 0.797 . . . . 0.0 111.755 177.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 45.7 mtm180 -77.96 -16.84 57.84 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -176.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -85.4 -37.88 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 174.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -74.42 -31.81 62.44 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.656 -176.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -83.34 106.15 14.87 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 172.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.521 ' HE3' ' HD2' ' A' ' 34' ' ' HIS . 3.3 mmmp? -78.12 -21.92 49.63 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -174.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -104.7 -11.19 17.0 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -177.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.54 37.55 78.18 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 114.997 0.759 . . . . 0.0 114.997 177.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -100.81 -10.88 20.33 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 118.6 1.2 . . . . 0.0 112.891 -177.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.65 13.73 46.34 Favored Glycine 0 C--N 1.334 0.42 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.916 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.565 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 69.6 m-85 -142.4 130.15 21.59 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 123.904 0.881 . . . . 0.0 109.816 -178.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' A' ' 63' ' ' VAL . 69.4 mt -102.23 118.52 49.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.2 p -92.25 177.49 6.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.48 177.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.85 -24.81 62.59 Favored 'General case' 0 C--O 1.208 -1.084 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.856 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.03 -30.46 44.18 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 122.132 -0.355 . . . . 0.0 111.467 177.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -73.39 -44.93 57.53 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 123.217 0.323 . . . . 0.0 111.519 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.9 tp -71.4 -29.82 65.38 Favored 'General case' 0 C--O 1.22 -0.448 0 O-C-N 123.72 0.637 . . . . 0.0 110.521 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.454 ' HA ' HG21 ' A' ' 48' ' ' VAL . 5.5 ttp180 -65.85 -38.16 88.12 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.756 174.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.521 ' HD2' ' HE3' ' A' ' 21' ' ' LYS . 46.5 t60 -74.32 -37.31 63.64 Favored 'General case' 0 N--CA 1.438 -1.026 0 O-C-N 123.787 0.679 . . . . 0.0 109.55 -171.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.8 m -76.87 -27.85 16.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.9 mmt -70.54 -40.26 73.52 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 121.132 0.491 . . . . 0.0 110.666 175.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 26.9 m -72.88 -32.59 65.49 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.877 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -67.77 -32.58 73.27 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.874 0.47 . . . . 0.0 112.125 175.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.0 mt -77.36 -8.16 57.24 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 122.647 0.379 . . . . 0.0 111.979 178.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.19 3.47 79.0 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 121.74 -0.267 . . . . 0.0 113.006 177.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -80.9 -37.17 30.15 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 76.7 tttt 62.11 81.64 0.19 Allowed 'General case' 0 C--N 1.349 0.549 0 O-C-N 125.213 1.571 . . . . 0.0 111.362 171.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 tp -98.41 137.96 36.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.025 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -75.71 168.03 20.78 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.16 0.288 . . . . 0.0 111.413 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -59.55 -41.61 90.51 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.51 -173.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 40.2 mt-10 -74.29 -36.13 63.74 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.913 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.04 -37.44 87.59 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.695 0.398 . . . . 0.0 112.013 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.454 HG21 ' HA ' ' A' ' 33' ' ' ARG . 93.3 t -70.73 -32.97 50.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.711 179.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -69.43 -30.74 68.74 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.105 0.162 . . . . 0.0 110.646 176.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 12.7 mm-40 -67.4 -32.89 74.1 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 122.872 0.469 . . . . 0.0 111.14 171.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 99.1 mmm -76.6 -28.25 56.09 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.071 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.8 mm -69.31 -42.4 81.29 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.882 0 O-C-N 123.376 0.422 . . . . 0.0 110.752 176.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.7 ptt85 -73.4 -22.7 60.18 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.233 0.47 . . . . 0.0 112.074 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -82.22 -16.66 48.82 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.074 0.149 . . . . 0.0 111.365 175.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.56 -32.97 11.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.93 0.395 . . . . 0.0 111.26 177.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -83.48 118.86 24.05 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.659 0.742 . . . . 0.0 110.58 -174.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 58.1 mt -79.99 -47.41 21.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 114.056 -1.429 . . . . 0.0 110.785 -178.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -88.22 -12.18 44.53 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -165.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.41 56.61 7.47 Favored Glycine 0 CA--C 1.534 1.27 0 N-CA-C 114.397 0.519 . . . . 0.0 114.397 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.9 p30 -115.34 -15.26 11.58 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 117.551 0.676 . . . . 0.0 112.513 175.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.55 -16.08 56.75 Favored Glycine 0 CA--C 1.534 1.228 0 N-CA-C 114.406 0.522 . . . . 0.0 114.406 -178.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.565 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 13.3 mt-30 -125.91 133.7 51.8 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 122.026 0.917 . . . . 0.0 110.654 -179.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.415 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 61.2 t -97.64 110.32 25.17 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 CA-C-N 113.85 -1.523 . . . . 0.0 108.777 -168.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.5 -173.63 3.44 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.521 ' CE1' ' HG2' ' A' ' 13' ' ' ARG . 35.5 t80 -59.27 -53.02 62.98 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.21 176.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.84 -29.72 70.88 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -76.21 -35.61 58.98 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.023 0.529 . . . . 0.0 111.022 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -72.04 -33.09 67.72 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.948 178.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.58 ' HA ' HG21 ' A' ' 12' ' ' ILE . 80.6 t -67.02 -38.44 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 122.677 0.391 . . . . 0.0 111.007 -178.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -68.13 -33.04 73.75 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -81.05 -20.03 42.53 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.372 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 78.6 mmm -89.4 -26.76 20.84 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.3 p -88.94 -36.11 16.09 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.978 0.418 . . . . 0.0 110.882 178.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -105.81 -160.38 0.75 Allowed 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.67 173.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.2 mttp . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.448 171.197 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.5 m . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 120.65 0.262 . . . . 0.0 111.465 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 37.4 tp -159.3 81.16 0.76 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.68 -174.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 47.9 tpp 74.07 -27.57 0.19 Allowed 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 166.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -87.71 1.6 53.37 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.562 -0.711 . . . . 0.0 111.619 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.17 115.59 16.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.132 -172.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 p -85.84 104.57 15.63 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.272 -178.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -121.66 16.94 11.16 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.194 172.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.452 ' O ' HG12 ' A' ' 12' ' ' ILE . 50.7 m -71.47 168.02 18.4 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 114.767 -1.106 . . . . 0.0 111.19 178.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -59.35 -34.3 72.2 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.156 0.982 . . . . 0.0 113.101 -172.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -67.21 -33.02 74.49 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.773 0.829 . . . . 0.0 112.157 177.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -78.14 -28.47 48.44 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.614 0.245 . . . . 0.0 110.636 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.586 HG21 ' HA ' ' A' ' 69' ' ' VAL . 16.5 mm -69.45 -22.18 25.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.642 178.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HG2' ' CE1' ' A' ' 65' ' ' TYR . 67.3 mtp180 -58.12 -47.0 84.64 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.758 0.423 . . . . 0.0 111.75 175.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -81.74 -30.56 32.39 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.036 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.01 -29.72 70.66 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 122.656 0.383 . . . . 0.0 111.544 176.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -68.73 -35.23 76.85 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.515 175.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.6 mtt180 -74.3 -18.16 60.75 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -176.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.96 -38.01 35.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 174.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -80.28 -42.55 22.91 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.71 -175.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.91 105.69 13.23 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.349 178.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -78.47 -29.5 46.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.845 -1.07 . . . . 0.0 112.764 -176.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -96.15 -11.7 25.81 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -174.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.89 25.41 75.81 Favored Glycine 0 CA--C 1.535 1.286 0 N-CA-C 115.523 0.969 . . . . 0.0 115.523 177.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -85.21 -16.31 40.72 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 118.734 1.267 . . . . 0.0 112.274 -177.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.91 10.51 52.22 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.856 -0.688 . . . . 0.0 113.113 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.531 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . 69.2 m-85 -138.91 129.87 26.49 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.302 0.641 . . . . 0.0 109.934 177.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.9 mt -92.33 109.15 21.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 176.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 76.2 p -82.04 173.32 12.28 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.212 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.69 -26.57 65.36 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.644 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.75 -35.5 72.68 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 122.419 0.288 . . . . 0.0 111.579 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 35' ' ' VAL . 41.6 mt-10 -72.18 -51.74 19.81 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.323 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.5 tp -66.99 -31.38 71.9 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 123.888 0.742 . . . . 0.0 111.614 -176.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.609 ' HA ' HG21 ' A' ' 48' ' ' VAL . 34.0 ttt180 -64.14 -43.65 94.57 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.118 0.567 . . . . 0.0 110.91 177.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -71.32 -35.07 71.11 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.004 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 31' ' ' GLU . 97.1 t -66.74 -45.46 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 122.683 0.393 . . . . 0.0 110.913 177.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.424 ' HB3' ' HB2' ' A' ' 43' ' ' LEU . 23.0 mmt -61.44 -43.98 97.91 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.053 0.541 . . . . 0.0 111.815 178.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 90.3 m -65.64 -39.39 91.39 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.517 177.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -68.34 -36.77 79.74 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.4 0.68 . . . . 0.0 111.946 -177.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.1 mt -80.95 -24.03 38.39 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.0 -177.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.15 24.6 4.13 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.434 174.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.419 ' HB3' HD13 ' A' ' 43' ' ' LEU . 6.5 mp0 -95.57 -33.66 12.31 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 122.481 0.313 . . . . 0.0 110.416 176.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 61.79 32.82 18.06 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 124.711 1.257 . . . . 0.0 112.395 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.424 ' HB2' ' HB3' ' A' ' 36' ' ' MET . 2.4 mp -61.83 124.44 20.76 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 123.505 0.503 . . . . 0.0 110.691 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.1 p -73.05 174.34 8.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.987 -177.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.31 -33.38 75.69 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.106 -177.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.16 -44.5 79.58 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.236 175.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -67.66 -36.7 81.21 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.609 HG21 ' HA ' ' A' ' 33' ' ' ARG . 92.5 t -70.85 -31.12 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.363 178.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.66 -33.75 76.69 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 122.236 0.214 . . . . 0.0 110.863 176.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.418 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 5.3 mm-40 -69.39 -37.71 77.65 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.122 0.569 . . . . 0.0 111.197 175.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.4 mmt -72.34 -33.75 67.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.712 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.5 mm -70.72 -41.73 77.61 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 O-C-N 123.35 0.406 . . . . 0.0 110.443 176.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.418 ' HG2' ' HA ' ' A' ' 50' ' ' GLU . 25.9 ptt180 -71.92 -22.26 61.5 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -175.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -90.71 -21.14 21.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.733 0.301 . . . . 0.0 111.225 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.79 -19.78 23.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.459 177.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.37 111.6 21.93 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.692 0.758 . . . . 0.0 110.777 -175.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.485 HD11 ' HB2' ' A' ' 70' ' ' GLN . 63.6 mt -79.68 -42.46 22.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.993 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -89.34 -12.07 41.53 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -170.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.53 57.41 8.2 Favored Glycine 0 CA--C 1.536 1.384 0 N-CA-C 114.878 0.711 . . . . 0.0 114.878 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.6 p30 -115.45 -15.99 11.44 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 117.705 0.753 . . . . 0.0 112.267 174.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.5 -6.87 49.93 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 120.83 -0.7 . . . . 0.0 114.651 -178.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.531 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 35.7 mt-30 -138.1 134.02 34.16 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.01 0.905 . . . . 0.0 111.091 177.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.4 t -89.11 105.54 16.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 CA-C-N 114.593 -1.185 . . . . 0.0 110.665 -169.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -83.12 -177.07 6.63 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 121.32 -0.152 . . . . 0.0 110.717 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.402 ' CE1' ' HG2' ' A' ' 13' ' ' ARG . 62.1 t80 -50.23 -54.24 22.45 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -176.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.21 -27.89 65.88 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 118.063 0.392 . . . . 0.0 112.011 -175.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -72.97 -34.39 66.44 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.212 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.519 ' HA ' ' HB3' ' A' ' 71' ' ' HIS . 63.6 t80 -83.95 -25.07 30.37 Favored 'General case' 0 C--O 1.209 -1.04 0 C-N-CA 123.544 0.738 . . . . 0.0 111.17 178.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.586 ' HA ' HG21 ' A' ' 12' ' ' ILE . 64.2 t -67.83 -47.77 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-N 118.454 0.57 . . . . 0.0 109.684 172.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.485 ' HB2' HD11 ' A' ' 57' ' ' ILE . 17.2 mm100 -72.4 -21.09 61.32 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 177.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.519 ' HB3' ' HA ' ' A' ' 68' ' ' PHE . 10.6 t-160 -68.25 -50.03 56.7 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.496 0.718 . . . . 0.0 109.291 168.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 57.0 mmm -75.96 -25.56 56.01 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -171.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.3 p -94.97 -7.7 39.09 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.02 174.87 10.49 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.92 0.39 . . . . 0.0 111.192 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt . . . . . 0 C--N 1.321 -0.671 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.87 -172.141 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.476 0.866 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 59.8 tp -118.35 104.22 10.53 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.217 0.532 . . . . 0.0 109.973 175.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.0 ttt -93.14 114.27 26.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.037 175.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -96.65 -173.62 2.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.708 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -72.91 -39.47 66.29 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.819 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.5 p 49.11 75.52 0.15 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.673 1.589 . . . . 0.0 113.315 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -126.18 -12.88 6.28 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.239 168.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.437 ' O ' HG12 ' A' ' 12' ' ' ILE . 5.6 t -87.94 -149.49 0.17 Allowed 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.752 -176.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.38 -19.93 62.44 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.284 1.033 . . . . 0.0 113.018 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -70.85 -32.92 70.09 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.908 0.883 . . . . 0.0 111.379 178.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.32 -25.87 31.1 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.073 178.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.526 HG21 ' HA ' ' A' ' 69' ' ' VAL . 22.4 mm -66.46 -23.01 30.8 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.089 176.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.515 ' HG2' ' CE1' ' A' ' 65' ' ' TYR . 98.1 mtt180 -64.23 -38.57 91.52 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.828 0.451 . . . . 0.0 111.731 172.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 38.9 tt0 -80.18 -27.62 38.9 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.299 179.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.84 -26.45 60.59 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.006 0.431 . . . . 0.0 110.741 174.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -71.8 -38.92 70.19 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.861 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -75.92 -14.63 60.26 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -177.057 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.0 t -69.98 -49.05 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 170.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.553 ' HA ' HG21 ' A' ' 35' ' ' VAL . 53.5 m-85 -77.12 -34.77 56.69 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.277 -1.329 . . . . 0.0 111.968 -172.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -84.34 109.2 17.64 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 172.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.8 mmmp? -77.64 -27.04 50.91 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -176.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -103.86 -11.8 17.29 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -174.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.36 37.6 79.97 Favored Glycine 0 CA--C 1.531 1.034 0 CA-C-O 118.987 -0.896 . . . . 0.0 114.82 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -96.85 -18.64 19.41 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.809 1.305 . . . . 0.0 112.167 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.61 14.46 19.65 Favored Glycine 0 C--O 1.221 -0.684 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.283 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -142.3 130.06 21.61 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.546 0.738 . . . . 0.0 110.747 176.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 53.5 mt -97.42 114.63 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 175.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.4 p -90.61 178.49 6.07 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 178.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.42 ' O ' HG11 ' A' ' 48' ' ' VAL . . . -67.27 -27.5 67.25 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.388 177.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.42 -28.97 52.75 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 122.16 -0.338 . . . . 0.0 111.494 177.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.43 -44.33 25.05 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.552 HD23 HG13 ' A' ' 48' ' ' VAL . 38.2 tp -67.36 -35.64 79.77 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.346 0.404 . . . . 0.0 110.481 177.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.4 ttt-85 -59.47 -44.16 93.07 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.579 0.752 . . . . 0.0 111.59 177.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -65.88 -43.9 86.95 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 123.685 0.615 . . . . 0.0 111.394 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.553 HG21 ' HA ' ' A' ' 19' ' ' PHE . 37.0 t -79.76 -31.26 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 O-C-N 123.179 0.299 . . . . 0.0 111.571 -172.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.1 mmt -64.64 -44.01 91.85 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.688 0.28 . . . . 0.0 111.25 173.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' A' ' 42' ' ' LYS . 62.9 m -65.26 -32.29 73.88 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.153 175.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -69.55 -33.29 72.55 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.306 0.642 . . . . 0.0 111.678 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.8 mt -81.17 -12.4 59.21 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.57 -1.95 53.15 Favored Glycine 0 C--N 1.336 0.558 0 C-N-CA 121.335 -0.459 . . . . 0.0 112.879 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -82.25 -20.78 36.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 119.421 -0.323 . . . . 0.0 111.7 -178.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 37' ' ' THR . 54.8 pttt 38.71 69.66 0.25 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 126.385 1.874 . . . . 0.0 114.356 177.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.498 ' HG ' ' HB2' ' A' ' 47' ' ' GLU . 6.4 tp -85.29 124.78 32.31 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.491 -1.232 . . . . 0.0 109.04 -176.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.4 p -81.11 175.07 10.97 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.263 0.352 . . . . 0.0 110.915 -177.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -56.65 -38.82 72.68 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -173.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -75.27 -36.0 61.26 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 122.578 0.351 . . . . 0.0 111.15 -177.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.498 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 16.7 mm-40 -73.48 -37.64 65.69 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.787 -178.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.552 HG13 HD23 ' A' ' 32' ' ' LEU . 70.3 t -66.41 -39.49 84.2 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.51 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.614 176.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -56.48 -42.02 77.56 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 123.815 0.697 . . . . 0.0 112.235 178.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.425 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . 40.8 mt-10 -77.04 -26.67 53.93 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.815 -178.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 97.8 mmm -76.68 -33.2 58.27 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 117.381 0.082 . . . . 0.0 111.048 173.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.7 mm -65.24 -48.1 84.79 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 O-C-N 123.775 0.672 . . . . 0.0 110.658 176.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.425 ' HG2' ' HA ' ' A' ' 50' ' ' GLU . 16.3 ptm180 -71.72 -23.05 61.56 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -176.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -78.85 -31.19 45.53 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.493 0.317 . . . . 0.0 111.402 175.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.52 -18.89 34.27 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.023 0.44 . . . . 0.0 111.591 177.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -90.82 119.47 31.06 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.738 0.78 . . . . 0.0 110.815 -173.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.4 mt -79.81 -45.37 23.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.307 -177.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 p30 -88.76 -11.48 44.89 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -168.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.99 53.91 10.14 Favored Glycine 0 CA--C 1.535 1.338 0 N-CA-C 114.813 0.685 . . . . 0.0 114.813 -178.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.3 p30 -112.9 -16.2 12.75 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 117.717 0.758 . . . . 0.0 112.009 175.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.48 2.28 67.95 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-O 119.698 -0.501 . . . . 0.0 113.961 -178.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -132.25 130.58 41.12 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 117.832 0.816 . . . . 0.0 109.156 174.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.4 t -96.61 105.46 17.12 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.252 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.427 -170.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.9 p30 -77.18 -171.1 1.92 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 121.112 -0.235 . . . . 0.0 111.283 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.515 ' CE1' ' HG2' ' A' ' 13' ' ' ARG . 62.1 t80 -60.6 -50.36 73.82 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.03 -25.22 61.72 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -175.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -75.32 -33.97 61.2 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.987 0.515 . . . . 0.0 110.763 177.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -74.45 -41.85 60.1 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.934 177.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.526 ' HA ' HG21 ' A' ' 12' ' ' ILE . 79.5 t -62.98 -41.74 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 O-C-N 123.674 0.608 . . . . 0.0 110.97 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -66.7 -33.81 76.46 Favored 'General case' 0 C--O 1.22 -0.498 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -71.73 -32.23 67.52 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 123.657 0.598 . . . . 0.0 110.992 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 76.6 mmm -75.94 -28.5 57.97 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 178.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 73.0 p -102.34 18.78 20.18 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.542 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.65 176.48 6.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.764 0.316 . . . . 0.0 111.457 -175.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.9 tttt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.594 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_