data_2m6u_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 2m6u _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 ' 1' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -56.4 -52.39 64.8 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -161.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 p -67.88 -22.17 65.12 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -78.66 -53.35 7.26 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.611 1.165 . . . . 0.0 110.945 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -25.58 67.03 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.684 -0.635 . . . . 0.0 112.164 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.66 -41.75 87.71 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.488 -0.758 . . . . 0.0 112.943 172.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -63.35 -41.22 98.84 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.461 -0.774 . . . . 0.0 110.433 172.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.79 -44.69 93.83 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.958 0.503 . . . . 0.0 112.332 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -69.88 -38.2 76.3 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.075 0.852 . . . . 0.0 113.013 174.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -65.63 -38.68 90.07 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.466 1.03 . . . . 0.0 112.799 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -57.82 -43.65 85.91 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.213 1.005 . . . . 0.0 112.074 174.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.6 m -83.31 -32.13 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.561 -0.712 . . . . 0.0 112.854 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -56.34 -49.31 74.72 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.948 1.299 . . . . 0.0 111.432 168.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.46 -35.35 77.44 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.419 0.554 . . . . 0.0 111.856 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.06 -46.26 81.93 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.771 0.714 . . . . 0.0 111.462 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.8 t -58.66 -53.05 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.68 0.792 . . . . 0.0 111.174 175.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -66.96 -32.59 73.93 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 120.441 1.473 . . . . 0.0 113.492 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -69.13 -43.41 74.45 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.737 1.215 . . . . 0.0 110.546 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.2 mt -78.59 -30.66 15.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 124.077 0.951 . . . . 0.0 112.43 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 37.7 t -58.08 -45.86 88.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-N 119.424 1.011 . . . . 0.0 110.501 162.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.71 -40.83 99.68 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 121.556 -0.715 . . . . 0.0 113.796 177.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -69.55 -31.91 70.4 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.374 1.087 . . . . 0.0 112.651 174.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.8 t -60.85 -47.34 86.79 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.327 -0.858 . . . . 0.0 110.989 169.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -61.48 -34.63 75.8 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.197 -0.939 . . . . 0.0 112.773 170.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.0 -29.56 69.43 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.228 -0.92 . . . . 0.0 113.432 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -97.99 -14.33 20.63 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 173.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.5 m -71.76 163.44 27.79 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.273 1.429 . . . . 0.0 113.813 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.9 p -133.26 160.21 37.95 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.504 1.922 . . . . 0.0 110.364 171.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -54.54 -41.36 69.65 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 121.302 -0.874 . . . . 0.0 113.316 -177.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -54.4 -45.48 72.93 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.695 0.68 . . . . 0.0 111.485 176.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -89.03 10.52 21.31 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.986 1.714 . . . . 0.0 115.569 -172.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 54.5 t60 -58.08 -25.76 61.7 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -176.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.1 m -55.09 -38.19 67.79 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 120.923 -1.111 . . . . 0.0 112.308 172.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.4 mm -75.46 -40.51 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.087 1.355 . . . . 0.0 110.24 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.6 m -56.75 -46.79 81.2 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.289 0.636 . . . . 0.0 110.646 173.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.4 t -69.0 -38.83 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.669 0.787 . . . . 0.0 112.174 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.27 -44.06 97.85 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.255 0.934 . . . . 0.0 111.654 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.9 tp -68.57 -39.54 80.97 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 118.607 -0.711 . . . . 0.0 111.97 175.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.1 t -57.88 -47.59 85.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 CA-C-N 120.257 1.389 . . . . 0.0 111.372 172.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -61.13 -35.73 77.83 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.443 0.697 . . . . 0.0 112.235 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -72.8 -48.3 39.26 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.742 0.701 . . . . 0.0 112.314 173.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.3 mt -58.7 -37.96 77.24 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.636 1.174 . . . . 0.0 112.449 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -65.77 -32.91 74.71 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.889 0.876 . . . . 0.0 112.906 171.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -66.45 -41.08 89.63 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.332 1.053 . . . . 0.0 110.643 176.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.1 mt -63.21 -49.78 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 O-C-N 121.984 -0.447 . . . . 0.0 110.059 172.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -54.38 -43.97 71.84 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.433 0.561 . . . . 0.0 111.074 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -63.27 -54.62 34.31 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.096 1.758 . . . . 0.0 113.946 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.4 -47.95 82.21 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.261 0.937 . . . . 0.0 110.862 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -75.22 -31.27 60.83 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 117.786 -1.102 . . . . 0.0 111.482 -173.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.1 mt -53.89 -46.72 71.47 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 120.2 1.363 . . . . 0.0 111.728 164.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -66.09 -42.26 89.54 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.923 0.783 . . . . 0.0 111.821 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -65.9 -30.55 71.16 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.037 -1.039 . . . . 0.0 111.747 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 76.7 mt -79.31 -38.84 20.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 125.435 1.494 . . . . 0.0 111.788 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.1 p -80.77 -6.56 9.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 O-C-N 120.96 -1.088 . . . . 0.0 113.407 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -118.14 1.71 11.96 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.771 1.628 . . . . 0.0 113.469 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.1 t -71.06 130.01 40.43 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 120.285 -1.51 . . . . 0.0 111.251 -176.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.96 -37.04 48.38 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.411 0.685 . . . . 0.0 111.184 165.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.5 m -95.33 117.49 30.4 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 125.178 1.391 . . . . 0.0 112.474 -171.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -71.06 -39.25 72.32 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.455 -0.778 . . . . 0.0 112.813 -177.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 95.9 p -65.36 -3.38 4.09 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 173.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -98.49 -24.97 14.93 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.359 1.063 . . . . 0.0 113.162 170.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 79.5 mt -57.78 -46.01 85.19 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.82 1.191 . . . . 0.0 110.862 174.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -62.93 -23.98 67.64 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 177.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.5 mm -87.45 -35.75 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 124.349 1.06 . . . . 0.0 113.207 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 54.8 mt -58.1 -26.11 62.19 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.436 1.016 . . . . 0.0 112.364 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 46.1 mtm -57.61 -46.55 83.93 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.161 0.984 . . . . 0.0 113.367 167.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 33.6 mtm -75.78 -42.76 49.27 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 118.304 -0.855 . . . . 0.0 111.306 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.62 -45.86 90.71 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.45 1.023 . . . . 0.0 112.195 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.3 t -65.04 -32.68 74.52 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 118.516 0.598 . . . . 0.0 112.097 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -65.83 -45.87 80.67 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.26 0.936 . . . . 0.0 111.411 173.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.7 m -59.55 -33.9 71.99 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.948 0.794 . . . . 0.0 112.161 173.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -67.37 -44.84 77.96 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 118.989 0.813 . . . . 0.0 112.121 173.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.9 t -64.56 -46.32 92.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 123.374 0.67 . . . . 0.0 110.71 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -62.56 -41.9 99.21 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.4 1.48 . . . . 0.0 111.745 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -64.56 -46.31 83.33 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 121.173 -0.955 . . . . 0.0 112.338 172.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.63 97.4 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.888 0.767 . . . . 0.0 111.878 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 68.0 t -59.23 -57.11 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 118.799 0.727 . . . . 0.0 109.941 169.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -61.05 -16.82 48.01 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -175.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.61 -46.86 9.71 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 127.554 2.342 . . . . 0.0 113.669 170.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -78.76 -6.07 54.93 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.78 -14.43 62.95 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.975 1.31 . . . . 0.0 114.021 170.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.321 0 N-CA-C 118.208 2.67 . . . . 0.0 118.208 -166.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 90.5 mt . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 118.046 -0.978 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -77.48 -36.09 53.06 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 121.746 2.066 . . . . 0.0 114.06 -163.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 p -66.34 -18.24 65.24 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.268 1.427 . . . . 0.0 114.081 169.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -98.16 -45.48 6.2 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 126.13 1.772 . . . . 0.0 109.713 -173.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -62.84 -29.89 71.08 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 124.085 0.954 . . . . 0.0 112.356 172.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -65.09 -38.52 91.01 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.729 1.15 . . . . 0.0 111.414 174.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -67.0 -44.31 80.68 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 111.466 0.173 . . . . 0.0 111.466 173.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.57 -40.31 96.63 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.417 ' HE ' ' CD2' ' A' ' 50' ' ' LEU . 6.8 ptm180 -65.7 -41.11 92.74 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.299 -0.876 . . . . 0.0 111.117 172.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -61.3 -41.4 96.92 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 118.633 -0.699 . . . . 0.0 111.645 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -57.51 -48.29 79.67 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 122.831 0.452 . . . . 0.0 112.173 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.0 m -72.07 -28.73 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 177.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -66.22 -35.73 81.19 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.051 1.296 . . . . 0.0 112.497 168.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.409 ' HA ' ' HE3' ' A' ' 17' ' ' LYS . 55.6 mt-10 -73.16 -38.47 66.21 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.15 -0.969 . . . . 0.0 112.316 175.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -66.41 -42.71 87.39 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.93 0.786 . . . . 0.0 112.004 173.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.7 t -60.27 -51.63 70.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-O 117.588 -1.196 . . . . 0.0 110.827 171.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.409 ' HE3' ' HA ' ' A' ' 14' ' ' GLU . 11.2 ptpt -66.1 -33.15 75.12 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 121.463 1.938 . . . . 0.0 112.851 -177.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -60.17 -47.19 86.96 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.471 1.108 . . . . 0.0 110.259 172.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.6 mm -79.73 -31.23 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 123.601 0.76 . . . . 0.0 111.719 -173.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.7 t -61.3 -48.27 89.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.41 1.084 . . . . 0.0 109.995 165.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.85 -43.8 97.66 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 124.101 0.858 . . . . 0.0 113.008 175.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -60.51 -37.5 81.35 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.792 1.237 . . . . 0.0 113.037 172.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.5 p -57.57 -41.56 81.33 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.429 1.013 . . . . 0.0 111.816 -175.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -75.1 -38.02 61.3 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.067 0.947 . . . . 0.0 112.195 172.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.71 -29.01 69.99 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -80.69 -5.42 57.0 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 120.945 -1.097 . . . . 0.0 113.641 170.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.9 m -123.75 179.05 4.94 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.462 1.505 . . . . 0.0 112.977 -165.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.6 p -133.21 172.64 12.4 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.448 1.499 . . . . 0.0 109.953 174.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -59.54 -22.83 62.25 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 120.54 -1.35 . . . . 0.0 112.924 177.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -65.87 -22.73 66.55 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.338 1.455 . . . . 0.0 113.754 170.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -105.81 3.38 28.67 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 126.598 1.959 . . . . 0.0 114.021 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 -50.58 -38.71 46.94 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.563 1.945 . . . . 0.0 114.603 -169.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 m -74.97 -28.04 60.4 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.078 -1.014 . . . . 0.0 113.406 178.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.9 mt -70.34 -43.28 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.538 0.735 . . . . 0.0 109.36 173.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 p -61.51 -45.46 94.1 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 118.456 -0.783 . . . . 0.0 112.283 177.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.4 p -64.71 -30.68 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 CA-C-N 119.996 1.271 . . . . 0.0 112.444 177.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.94 -42.76 84.76 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 119.63 1.105 . . . . 0.0 113.091 174.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.6 tp -64.91 -37.5 87.85 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.256 -0.902 . . . . 0.0 111.571 171.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.1 t -71.11 -34.79 56.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 O-C-N 120.972 -1.08 . . . . 0.0 112.403 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -56.7 -40.85 76.35 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.758 0.823 . . . . 0.0 110.984 168.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -73.58 -42.76 61.15 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 123.345 0.658 . . . . 0.0 112.054 177.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.9 mt -59.15 -39.21 81.74 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 120.283 -1.51 . . . . 0.0 112.374 176.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -62.81 -35.71 80.77 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.581 0.752 . . . . 0.0 112.316 169.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -66.89 -43.89 82.29 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.524 0.73 . . . . 0.0 110.34 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.9 mt -60.76 -47.27 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 118.671 0.669 . . . . 0.0 110.276 171.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -53.22 -47.48 68.93 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.404 0.547 . . . . 0.0 111.581 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -77.17 -43.64 33.14 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.803 0.841 . . . . 0.0 112.493 -175.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -51.78 -45.06 63.66 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.536 0.734 . . . . 0.0 111.686 172.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -84.58 -31.04 24.54 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 117.964 -1.017 . . . . 0.0 112.804 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.417 ' CD2' ' HE ' ' A' ' 9' ' ' ARG . 7.6 mt -52.64 -47.61 66.95 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 120.866 1.666 . . . . 0.0 111.332 169.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -61.38 -41.92 97.87 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.123 0.569 . . . . 0.0 112.109 177.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -73.99 -21.21 60.08 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.069 0.948 . . . . 0.0 113.414 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.7 mt -84.98 -42.91 16.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 124.555 1.142 . . . . 0.0 110.948 175.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.8 p -68.49 -28.1 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 CA-C-N 119.92 1.236 . . . . 0.0 112.531 174.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -111.92 27.05 10.01 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 177.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.1 t -76.49 152.6 36.04 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.394 0.616 . . . . 0.0 109.871 162.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.6 t -121.54 -1.15 9.61 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.304 1.041 . . . . 0.0 113.049 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.6 m -130.05 126.58 38.0 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.792 1.637 . . . . 0.0 110.326 -176.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -70.57 -22.08 62.61 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.196 -0.94 . . . . 0.0 113.022 -172.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.2 p -60.28 -56.08 25.9 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 125.91 1.684 . . . . 0.0 111.174 166.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -62.79 -35.23 79.17 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.836 1.254 . . . . 0.0 112.445 -174.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.9 mt -51.35 -42.79 61.55 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.805 0.73 . . . . 0.0 111.996 172.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -75.41 -35.82 60.95 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.7 mm -70.4 -33.93 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 120.618 -1.301 . . . . 0.0 112.766 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.5 mt -55.68 -26.87 47.09 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.992 -1.067 . . . . 0.0 113.046 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 38.9 mtm -68.69 -21.66 64.41 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 172.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 33.9 mtm -98.68 -34.38 10.57 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 126.014 1.726 . . . . 0.0 111.884 177.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -65.86 -47.33 75.27 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.491 0.716 . . . . 0.0 112.056 172.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.1 t -60.21 -43.05 96.27 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.391 -0.818 . . . . 0.0 111.477 173.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.0 mtm180 -60.71 -39.39 88.4 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.188 -0.945 . . . . 0.0 113.234 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.6 m -55.4 -46.7 76.59 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.485 0.714 . . . . 0.0 111.418 171.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -70.95 -27.8 64.01 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.7 t -72.16 -41.2 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 120.999 -1.063 . . . . 0.0 111.084 172.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -62.58 -36.66 83.4 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.725 0.693 . . . . 0.0 111.41 171.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -62.2 -49.31 76.31 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.056 -1.027 . . . . 0.0 112.191 169.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.17 94.94 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.422 -0.799 . . . . 0.0 111.821 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.13 -54.36 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.268 0.627 . . . . 0.0 110.124 173.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.4 t -65.62 -19.23 65.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 117.94 -1.029 . . . . 0.0 113.452 -175.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -75.0 -57.43 3.91 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.722 1.609 . . . . 0.0 111.728 168.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -72.51 -22.37 61.05 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -171.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.12 -10.02 36.88 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.807 1.643 . . . . 0.0 115.133 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? . . . . . 0 C--O 1.251 1.139 0 C-N-CA 124.337 1.055 . . . . 0.0 113.151 177.655 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 N--CA 1.485 1.301 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -61.2 -30.34 70.36 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -177.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.5 p -81.94 -30.84 31.58 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.227 0.922 . . . . 0.0 112.203 170.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.3 -46.46 89.78 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.059 1.344 . . . . 0.0 111.567 174.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -24.57 60.94 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.444 0.698 . . . . 0.0 112.238 -177.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.25 -33.55 43.46 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.896 1.278 . . . . 0.0 113.92 176.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -77.13 -39.16 50.29 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.056 0.844 . . . . 0.0 111.912 169.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.31 -46.73 82.92 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.402 0.681 . . . . 0.0 112.54 175.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -65.78 -36.69 84.26 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.489 -0.757 . . . . 0.0 112.702 178.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -66.86 -41.46 87.3 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.92 0.888 . . . . 0.0 111.009 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -63.61 -45.04 92.12 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.237 0.615 . . . . 0.0 112.46 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.3 m -72.11 -29.4 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.11 -46.77 87.47 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.317 0.962 . . . . 0.0 110.647 165.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -63.79 -43.22 96.96 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 176.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -65.11 -45.38 85.39 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.836 0.743 . . . . 0.0 111.275 178.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 49.5 t -66.21 -49.32 76.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 117.85 -1.071 . . . . 0.0 111.435 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -62.59 -33.71 75.52 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.793 1.633 . . . . 0.0 112.274 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -67.58 -47.34 70.03 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.305 0.502 . . . . 0.0 110.037 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.9 mm -68.0 -31.71 53.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 C-N-CA 123.582 0.753 . . . . 0.0 111.508 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.4 t -61.77 -43.71 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.449 1.099 . . . . 0.0 111.607 168.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.6 -44.77 94.57 Favored Glycine 0 CA--C 1.534 1.269 0 CA-C-N 118.829 0.74 . . . . 0.0 112.804 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -62.74 -33.62 75.53 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.724 -0.868 . . . . 0.0 112.593 176.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.3 t -57.71 -44.12 85.7 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.67 1.188 . . . . 0.0 111.957 174.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -71.66 -40.53 69.59 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.107 -0.995 . . . . 0.0 112.292 171.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.25 -10.71 56.55 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.1 ptmm? -118.32 9.81 12.59 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.484 1.514 . . . . 0.0 114.929 176.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.0 p -126.42 -176.48 3.68 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.389 1.476 . . . . 0.0 110.741 171.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 p -129.89 165.19 22.55 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.124 -0.985 . . . . 0.0 110.937 174.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -50.22 -28.71 8.05 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.256 1.422 . . . . 0.0 113.482 174.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.3 -34.13 77.6 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.428 0.691 . . . . 0.0 112.408 177.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.8 mmm-85 -98.73 12.05 36.71 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.02 1.328 . . . . 0.0 113.518 -173.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -50.62 -33.01 20.61 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.718 1.607 . . . . 0.0 114.885 -166.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 36.1 m -60.95 -40.68 94.21 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.13 0.972 . . . . 0.0 113.058 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.6 mt -69.35 -41.95 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.708 0.803 . . . . 0.0 109.491 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m -60.23 -45.27 93.8 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.612 0.765 . . . . 0.0 111.021 175.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.2 t -64.41 -39.63 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 124.268 1.027 . . . . 0.0 112.098 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.3 87.0 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.322 0.965 . . . . 0.0 111.738 174.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.3 tp -64.48 -39.79 94.46 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.842 -0.536 . . . . 0.0 112.002 176.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.6 t -67.07 -38.22 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.156 0.983 . . . . 0.0 112.3 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -68.22 -34.84 77.0 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.599 -0.688 . . . . 0.0 111.882 173.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -73.17 -41.49 63.82 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.983 0.81 . . . . 0.0 112.202 175.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 mt -51.16 -41.37 60.11 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.185 1.394 . . . . 0.0 111.82 168.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -75.09 -23.75 58.04 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 174.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -67.55 -46.14 73.63 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 120.545 1.52 . . . . 0.0 109.624 170.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.2 mt -62.54 -42.08 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 123.065 0.546 . . . . 0.0 110.406 174.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -59.27 -49.16 78.92 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.227 0.922 . . . . 0.0 111.74 173.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.96 -49.84 67.85 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.288 1.435 . . . . 0.0 112.394 174.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -65.15 -40.93 95.04 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.937 0.895 . . . . 0.0 111.658 -176.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -85.48 -26.7 26.12 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.304 -0.855 . . . . 0.0 112.67 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 33.6 mt -58.21 -45.05 88.35 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 120.199 1.363 . . . . 0.0 110.918 163.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -59.34 -42.53 91.71 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.265 0.484 . . . . 0.0 111.504 174.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -68.29 -30.25 69.21 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.417 -0.802 . . . . 0.0 113.088 177.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.4 mt -85.37 -34.12 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 124.632 1.173 . . . . 0.0 111.572 -176.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.3 p -75.32 -41.14 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 121.099 -1.001 . . . . 0.0 111.498 169.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -97.98 25.52 5.96 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.782 1.233 . . . . 0.0 113.189 -176.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t -74.2 134.46 42.75 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 121.282 -0.886 . . . . 0.0 109.717 166.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 t -91.36 -7.26 51.38 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.788 0.835 . . . . 0.0 112.628 167.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.5 m -123.62 132.09 53.78 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.059 1.744 . . . . 0.0 111.274 -169.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -74.36 -57.7 3.77 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -172.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.5 m -68.6 -20.86 64.52 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.497 1.499 . . . . 0.0 112.56 -174.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -56.56 -34.69 67.35 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.482 1.113 . . . . 0.0 112.044 168.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.1 mt -57.89 -34.51 69.88 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.934 0.894 . . . . 0.0 111.984 174.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -75.47 -36.31 60.69 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 122.619 0.368 . . . . 0.0 111.262 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 20.0 mm -73.01 -34.75 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 O-C-N 121.1 -1.0 . . . . 0.0 112.083 177.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.1 mt -56.16 -25.98 48.61 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.959 0.904 . . . . 0.0 112.857 174.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 41.7 mtm -65.55 -43.41 89.97 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.149 0.886 . . . . 0.0 112.403 170.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 42.6 mtm -77.6 -36.15 52.12 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.139 -0.976 . . . . 0.0 112.156 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -64.95 -47.58 77.15 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 121.611 -0.681 . . . . 0.0 112.075 172.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.2 p -63.64 -37.27 86.71 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 118.851 -0.595 . . . . 0.0 112.334 176.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -56.81 -47.61 79.85 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.345 1.058 . . . . 0.0 111.819 170.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.3 t -65.25 -36.14 83.21 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.32 0.648 . . . . 0.0 112.414 177.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -69.49 -41.51 76.03 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.651 1.181 . . . . 0.0 112.087 176.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.2 -49.95 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.652 1.181 . . . . 0.0 111.139 172.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -72.82 -12.85 61.15 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -75.69 -44.44 42.2 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.12 -0.987 . . . . 0.0 112.039 165.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.49 -41.17 98.62 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.469 0.577 . . . . 0.0 110.863 175.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.7 t -58.12 -59.49 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 118.391 0.542 . . . . 0.0 110.241 169.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.1 t -50.17 -38.09 37.94 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.317 1.047 . . . . 0.0 113.534 -177.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -86.12 -38.21 18.0 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.33 1.052 . . . . 0.0 113.393 -177.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -71.72 -27.15 62.81 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 120.416 1.462 . . . . 0.0 112.701 174.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -61.19 -11.38 8.96 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.303 1.441 . . . . 0.0 114.33 173.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 92.5 mttt . . . . . 0 C--O 1.25 1.079 0 C-N-CA 126.329 1.851 . . . . 0.0 112.317 -175.316 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 113.348 0.869 . . . . 0.0 113.348 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -45.94 -47.12 16.46 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 128.875 2.87 . . . . 0.0 114.804 171.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 p -61.48 -39.21 90.1 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.062 1.745 . . . . 0.0 111.727 173.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -71.52 -45.08 63.4 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.557 1.143 . . . . 0.0 111.841 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.84 -19.9 64.28 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.124 -0.985 . . . . 0.0 113.512 177.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -79.35 -45.01 20.43 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.165 0.586 . . . . 0.0 112.549 170.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -72.85 -37.87 67.25 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.286 -0.884 . . . . 0.0 112.514 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.56 98.62 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.915 1.286 . . . . 0.0 113.091 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 ptm85 -65.72 -34.81 79.05 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 118.942 -0.552 . . . . 0.0 111.29 174.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -61.69 -50.15 73.63 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 118.259 -0.876 . . . . 0.0 111.612 172.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -54.29 -44.17 71.71 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.05 0.94 . . . . 0.0 112.478 -176.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.8 m -68.98 -33.73 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 O-C-N 121.232 -0.917 . . . . 0.0 113.365 174.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -67.83 -31.62 71.59 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 120.963 -1.086 . . . . 0.0 113.139 170.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.9 -38.99 87.29 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.199 1.363 . . . . 0.0 111.413 173.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -74.57 -46.13 40.78 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.988 -0.445 . . . . 0.0 112.074 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.5 t -61.26 -43.86 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 120.939 -1.1 . . . . 0.0 111.075 176.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -65.68 -31.47 72.5 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 120.489 1.495 . . . . 0.0 113.197 178.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -64.72 -53.12 52.3 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 118.587 0.63 . . . . 0.0 109.686 175.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.5 mm -67.86 -37.45 78.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 124.086 0.955 . . . . 0.0 111.327 -175.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.8 t -61.79 -46.19 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 O-C-N 121.287 -0.883 . . . . 0.0 111.218 170.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.22 -44.55 97.55 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 118.763 0.71 . . . . 0.0 113.289 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -67.51 -36.0 80.19 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 117.776 0.788 . . . . 0.0 112.392 176.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.1 t -60.1 -48.8 80.22 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.403 1.081 . . . . 0.0 111.642 172.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -62.42 -27.71 69.29 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.93 -32.96 26.93 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 176.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -86.81 -20.68 27.2 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 120.301 1.41 . . . . 0.0 113.578 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.1 t -49.06 149.28 1.99 Allowed 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 126.808 2.043 . . . . 0.0 112.287 164.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 62.0 m -154.26 152.99 30.95 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.88 1.272 . . . . 0.0 109.74 175.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -53.37 -26.1 18.02 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 116.28 1.955 . . . . 0.0 116.28 -169.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -66.02 -18.9 65.64 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.932 1.693 . . . . 0.0 113.789 173.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -130.91 19.55 5.02 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.969 1.707 . . . . 0.0 113.92 -173.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -57.18 -33.49 67.52 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -167.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.1 p -60.7 -38.01 83.6 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.539 1.136 . . . . 0.0 113.226 172.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.2 mt -69.19 -40.05 80.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 123.732 0.813 . . . . 0.0 110.038 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.6 m -59.2 -53.33 59.5 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.867 0.467 . . . . 0.0 110.912 174.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.5 p -65.58 -31.84 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 118.709 0.686 . . . . 0.0 111.99 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.94 -50.35 68.99 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.269 0.941 . . . . 0.0 112.514 172.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.0 tp -66.37 -35.58 80.7 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.959 0.8 . . . . 0.0 112.108 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.8 t -65.08 -39.13 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 121.226 -0.921 . . . . 0.0 111.806 175.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -67.27 -39.5 86.07 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 118.865 -0.588 . . . . 0.0 111.628 171.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -64.15 -42.04 96.93 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.132 0.878 . . . . 0.0 111.69 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.6 mt -57.1 -44.04 82.85 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.892 1.277 . . . . 0.0 112.374 172.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -72.49 -25.31 61.37 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 117.832 -1.08 . . . . 0.0 113.233 174.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -68.45 -48.34 64.79 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 126.618 1.967 . . . . 0.0 109.935 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.6 mt -62.36 -46.03 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.857 -0.527 . . . . 0.0 109.964 171.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -57.14 -49.22 76.59 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 118.607 0.639 . . . . 0.0 111.578 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -59.53 -49.22 78.61 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.777 2.031 . . . . 0.0 112.383 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -60.04 -50.6 73.09 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.386 1.074 . . . . 0.0 111.213 174.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -75.33 -33.18 61.11 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 120.83 -1.169 . . . . 0.0 112.414 -174.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.4 mt -53.82 -43.33 69.3 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.883 1.22 . . . . 0.0 110.745 166.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -70.07 -40.95 74.74 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.856 0.862 . . . . 0.0 112.268 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -66.26 -34.95 79.16 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 121.208 -0.932 . . . . 0.0 112.096 177.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 68.7 mt -74.36 -43.35 49.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 124.446 1.098 . . . . 0.0 111.092 -177.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.73 -33.57 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 119.688 1.131 . . . . 0.0 112.05 174.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -82.66 1.11 40.05 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 t -74.67 161.68 29.44 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 120.638 -1.289 . . . . 0.0 112.497 -174.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.6 t -109.89 -27.58 9.19 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -166.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.8 m -145.09 138.25 26.53 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.111 0.964 . . . . 0.0 112.571 -168.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -57.46 -33.72 68.26 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.247 1.819 . . . . 0.0 114.13 -177.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.9 p -59.71 -54.77 42.51 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.896 1.278 . . . . 0.0 111.985 172.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -68.82 -30.89 69.54 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.478 -0.764 . . . . 0.0 111.649 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.1 mt -59.58 -40.33 87.03 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.185 0.994 . . . . 0.0 112.568 171.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -64.88 -41.86 95.28 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 118.806 0.73 . . . . 0.0 111.666 172.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.4 mm -69.81 -34.1 59.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 O-C-N 120.597 -1.314 . . . . 0.0 112.283 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.2 mt -56.71 -27.37 58.9 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.456 0.909 . . . . 0.0 113.456 175.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 41.6 mtm -62.81 -52.51 62.88 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.512 0.596 . . . . 0.0 111.549 170.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 34.5 mtm -69.39 -36.13 76.47 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 124.129 0.971 . . . . 0.0 112.198 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -60.59 -50.78 72.17 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.033 0.833 . . . . 0.0 111.578 171.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.3 t -65.5 -36.25 83.28 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.593 -0.692 . . . . 0.0 111.57 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -67.22 -47.17 71.64 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.309 0.959 . . . . 0.0 112.507 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.0 t -55.04 -48.17 73.8 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.476 1.51 . . . . 0.0 110.876 173.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -72.5 -27.25 62.15 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.395 -0.816 . . . . 0.0 112.594 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.9 t -66.49 -46.78 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 119.372 0.987 . . . . 0.0 111.42 167.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -65.38 -31.1 72.03 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 122.963 0.505 . . . . 0.0 111.972 176.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -67.03 -39.17 86.96 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.442 1.097 . . . . 0.0 112.333 169.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.66 80.71 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 120.896 -1.128 . . . . 0.0 111.425 175.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.52 -54.55 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.264 0.625 . . . . 0.0 109.798 167.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.8 t -59.23 -39.65 83.41 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.097 0.862 . . . . 0.0 112.655 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -56.92 -32.58 66.09 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.838 1.655 . . . . 0.0 113.006 173.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -97.13 -27.66 14.47 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.532 1.133 . . . . 0.0 113.815 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -74.22 -20.66 60.11 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.408 1.083 . . . . 0.0 113.681 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.2 mttp . . . . . 0 C--O 1.247 0.966 0 C-N-CA 125.567 1.547 . . . . 0.0 113.178 178.247 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 N--CA 1.483 1.221 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -63.71 -38.12 89.91 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.955 1.302 . . . . 0.0 113.751 -174.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -74.49 -26.88 60.29 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.737 -1.227 . . . . 0.0 111.922 171.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -66.95 -43.32 83.46 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 120.375 -1.453 . . . . 0.0 111.783 172.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 ptp85 -67.67 -31.24 71.08 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 119.14 -0.457 . . . . 0.0 111.507 173.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -63.65 -48.74 76.0 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 124.13 0.972 . . . . 0.0 111.907 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -57.22 -46.27 83.07 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.75 0.82 . . . . 0.0 110.562 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.7 -47.6 77.77 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -63.94 -40.07 95.6 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.63 1.105 . . . . 0.0 111.961 179.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -63.35 -40.39 97.16 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.647 0.658 . . . . 0.0 112.537 177.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -68.16 -44.75 75.28 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 m -70.42 -31.13 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 175.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.69 -49.52 77.16 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 118.995 0.816 . . . . 0.0 110.656 168.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -60.67 -39.49 88.6 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 119.54 1.063 . . . . 0.0 112.902 174.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -63.51 -41.39 98.52 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.556 1.071 . . . . 0.0 111.911 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.6 t -68.64 -47.1 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 O-C-N 121.047 -1.033 . . . . 0.0 111.567 172.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -61.93 -31.77 72.12 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 120.397 1.453 . . . . 0.0 112.502 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -63.52 -55.95 19.93 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.941 1.296 . . . . 0.0 110.542 169.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.0 mm -72.33 -24.73 22.39 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 123.368 0.667 . . . . 0.0 112.436 -170.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.4 t -63.05 -45.59 98.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 O-C-N 120.587 -1.321 . . . . 0.0 110.926 164.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.7 -33.97 82.03 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.049 0.833 . . . . 0.0 113.8 176.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -61.26 -48.08 83.07 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 121.433 -1.039 . . . . 0.0 110.728 165.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.8 m -63.78 -34.89 78.91 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.118 -0.989 . . . . 0.0 112.955 -175.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -69.94 -39.09 76.29 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.396 -0.815 . . . . 0.0 112.765 170.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.05 -33.93 76.91 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.385 0.993 . . . . 0.0 113.183 174.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -84.53 12.92 6.13 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.933 2.093 . . . . 0.0 113.369 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.2 p -143.61 -157.12 0.75 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.281 1.032 . . . . 0.0 112.477 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -150.97 151.69 32.46 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.621 1.568 . . . . 0.0 109.253 -167.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -59.24 -39.66 83.47 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 120.102 -1.623 . . . . 0.0 112.461 174.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -58.98 -18.04 30.41 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.282 1.433 . . . . 0.0 113.447 170.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -111.87 8.93 20.59 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 127.866 2.466 . . . . 0.0 113.988 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.3 p-80 -52.3 -31.22 31.98 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -175.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.2 m -57.67 -37.74 73.93 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.601 1.091 . . . . 0.0 111.8 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.9 mm -72.93 -45.99 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 124.969 1.308 . . . . 0.0 109.547 177.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.87 -42.38 97.53 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.543 0.737 . . . . 0.0 111.622 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -61.88 -33.59 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.241 1.417 . . . . 0.0 111.502 177.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.21 -49.7 63.55 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.562 1.073 . . . . 0.0 112.061 172.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.8 tp -61.74 -36.97 82.54 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.401 0.68 . . . . 0.0 112.173 177.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.9 t -73.84 -34.34 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.35 1.06 . . . . 0.0 112.423 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -59.82 -42.44 93.52 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.352 0.524 . . . . 0.0 110.936 168.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -69.05 -44.2 73.12 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 122.661 0.384 . . . . 0.0 111.53 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.6 mt -55.86 -38.3 69.93 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 120.608 -1.308 . . . . 0.0 112.519 172.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -68.11 -36.7 80.18 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.459 -0.776 . . . . 0.0 112.814 170.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -67.38 -44.59 78.54 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.607 0.763 . . . . 0.0 109.819 -176.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 68.2 mt -61.86 -47.21 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 124.217 1.007 . . . . 0.0 110.637 173.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -55.69 -51.49 67.09 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 118.789 0.722 . . . . 0.0 111.449 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -85.35 -19.48 31.38 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -168.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -59.07 -54.62 44.95 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 157.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.401 ' CD2' ' HB3' ' A' ' 69' ' ' SER . 11.9 m-85 -68.97 -28.03 66.25 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 118.275 -0.869 . . . . 0.0 113.336 -175.123 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.3 mt -57.2 -36.32 70.7 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 120.137 1.335 . . . . 0.0 112.176 167.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -71.11 -46.03 62.5 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.252 0.933 . . . . 0.0 111.741 169.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.0 mtpt -61.95 -25.99 67.93 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 121.006 -1.059 . . . . 0.0 112.729 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.7 mt -92.05 -42.68 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 126.921 2.089 . . . . 0.0 111.571 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 p -65.95 -35.54 75.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.996 1.271 . . . . 0.0 111.625 174.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -85.74 7.02 25.24 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 176.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.97 151.43 28.49 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 122.216 1.007 . . . . 0.0 111.976 168.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.0 t -137.26 0.88 2.37 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.504 1.522 . . . . 0.0 112.689 -168.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 m -140.64 121.49 14.47 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.008 1.323 . . . . 0.0 111.72 -169.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -61.02 -44.38 97.5 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -172.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.9 m -71.1 -9.98 58.99 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -177.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -96.76 -40.2 9.08 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.434 1.093 . . . . 0.0 111.774 168.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.4 mt -52.41 -43.25 64.68 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.141 1.376 . . . . 0.0 113.103 177.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -65.89 -22.66 66.53 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.7 mm -84.11 -31.74 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 O-C-N 120.732 -1.23 . . . . 0.0 112.755 177.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.02 -29.6 44.26 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.226 0.921 . . . . 0.0 111.821 172.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 56.4 mtm -58.01 -51.03 71.34 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.278 0.631 . . . . 0.0 112.107 170.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 30.1 mtm -70.8 -42.25 70.56 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.589 1.156 . . . . 0.0 112.706 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -58.79 -35.35 72.67 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.781 0.833 . . . . 0.0 112.201 174.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.401 ' HB3' ' CD2' ' A' ' 49' ' ' TYR . 10.5 p -72.99 -41.44 64.33 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 171.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -65.52 -36.77 84.81 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.747 1.219 . . . . 0.0 112.641 -174.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.8 t -55.85 -49.4 73.43 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.774 0.671 . . . . 0.0 111.004 168.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -66.3 -37.54 85.66 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.711 0.804 . . . . 0.0 113.013 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.85 -46.32 85.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 118.611 0.641 . . . . 0.0 111.033 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.09 -28.72 64.54 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.779 -0.629 . . . . 0.0 112.145 173.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -67.46 -37.72 83.36 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.771 1.169 . . . . 0.0 113.183 174.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.37 -44.38 92.74 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.254 0.622 . . . . 0.0 110.716 173.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 24.0 t -66.16 -41.14 88.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 121.785 -0.572 . . . . 0.0 110.888 171.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.18 -33.69 63.22 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.953 1.701 . . . . 0.0 112.545 178.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -71.26 -38.98 71.85 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.616 1.166 . . . . 0.0 112.892 173.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -83.36 -21.34 33.14 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -176.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -94.04 7.51 44.86 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -173.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 116.906 -1.521 . . . . 0.0 114.267 169.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 N--CA 1.482 1.166 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -86.88 -42.35 13.29 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 120.134 1.334 . . . . 0.0 111.74 -175.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 p -59.94 -19.63 53.01 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.152 -0.968 . . . . 0.0 113.059 165.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.79 -58.48 3.24 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.324 1.45 . . . . 0.0 112.33 168.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -26.55 68.89 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.146 -0.972 . . . . 0.0 113.081 -176.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -67.91 -28.06 67.18 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 173.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -78.36 -44.34 25.31 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 122.604 0.362 . . . . 0.0 110.334 169.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.42 -41.95 77.22 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.281 1.032 . . . . 0.0 112.686 -177.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -66.42 -32.16 73.36 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -81.64 -36.1 29.23 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 124.776 1.23 . . . . 0.0 111.531 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -56.27 -42.96 78.29 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.264 1.026 . . . . 0.0 111.971 173.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.1 m -72.37 -27.45 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 176.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -64.99 -40.8 95.5 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.459 1.027 . . . . 0.0 111.852 165.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -71.89 -14.25 61.89 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -80.82 -59.49 2.65 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.367 -0.833 . . . . 0.0 110.708 159.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.1 t -54.16 -51.69 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 124.167 0.987 . . . . 0.0 113.09 -176.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -63.83 -34.88 78.92 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 120.464 1.484 . . . . 0.0 112.463 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -72.58 -45.55 58.6 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.392 0.677 . . . . 0.0 110.489 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.2 mm -61.92 -35.99 71.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 124.604 1.161 . . . . 0.0 111.028 176.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.1 t -60.96 -52.69 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.895 0.878 . . . . 0.0 111.105 168.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.31 -40.31 97.28 Favored Glycine 0 CA--C 1.537 1.414 0 CA-C-N 119.154 0.888 . . . . 0.0 113.894 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -74.96 -31.04 61.38 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.254 -1.145 . . . . 0.0 112.196 175.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 t -77.24 -6.5 53.31 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 120.462 -1.399 . . . . 0.0 114.079 170.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -85.16 -31.65 23.14 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.356 0.98 . . . . 0.0 111.803 157.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.44 -34.07 75.33 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.558 1.072 . . . . 0.0 113.494 176.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . 0.323 21.5 pttp -87.44 18.74 3.66 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 170.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.4 m -129.6 179.58 5.74 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.99 1.716 . . . . 0.0 111.668 177.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.2 m -129.22 155.53 45.4 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 126.012 1.725 . . . . 0.0 108.816 168.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -45.74 -46.17 14.92 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.036 1.334 . . . . 0.0 113.839 174.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.37 -34.76 64.57 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 120.969 -1.082 . . . . 0.0 113.61 173.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -93.64 11.0 30.42 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.735 2.014 . . . . 0.0 113.867 176.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -51.58 -32.51 28.76 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.93 1.241 . . . . 0.0 112.511 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.69 -42.59 11.81 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 127.983 2.513 . . . . 0.0 112.762 174.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.1 mt -70.04 -47.05 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.244 1.018 . . . . 0.0 110.042 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.5 m -68.18 -35.22 77.68 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.81 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 49.8 t -64.28 -43.61 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 CA-C-N 120.467 1.485 . . . . 0.0 111.044 174.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.06 85.78 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.789 -0.569 . . . . 0.0 112.486 175.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.9 tp -74.31 -35.34 63.66 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.583 0.753 . . . . 0.0 112.777 173.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.9 t -59.32 -43.56 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 120.474 1.488 . . . . 0.0 110.78 173.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.52 -34.75 76.05 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.172 0.589 . . . . 0.0 111.807 176.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -74.39 -46.08 42.7 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.782 0.833 . . . . 0.0 112.295 173.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.4 mt -57.76 -39.25 76.98 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.429 -1.419 . . . . 0.0 111.085 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -69.49 -31.79 70.27 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 117.735 -1.126 . . . . 0.0 113.775 171.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -62.79 -50.5 70.76 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.324 1.45 . . . . 0.0 110.448 174.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.1 mt -62.6 -47.45 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 118.109 0.413 . . . . 0.0 110.236 175.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -53.97 -47.12 71.7 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.769 0.827 . . . . 0.0 111.63 176.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -66.41 -47.19 74.06 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.818 1.647 . . . . 0.0 112.353 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -60.51 -42.1 95.71 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.734 -0.604 . . . . 0.0 111.266 176.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -78.11 -35.92 48.6 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 118.304 -0.855 . . . . 0.0 111.802 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.5 mt -50.77 -45.95 59.27 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.319 1.418 . . . . 0.0 111.208 166.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -71.41 -40.06 70.71 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.102 0.561 . . . . 0.0 111.799 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -60.57 -36.58 78.85 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.321 -0.862 . . . . 0.0 112.442 171.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.1 mt -81.45 -27.86 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 123.618 0.767 . . . . 0.0 112.084 -171.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.8 p -77.06 -37.54 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 O-C-N 121.062 -1.024 . . . . 0.0 112.354 165.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -95.09 -1.59 51.77 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -172.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.1 t -63.44 145.81 54.86 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 121.025 -1.047 . . . . 0.0 110.752 175.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.8 t -115.2 14.0 16.86 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.426 1.49 . . . . 0.0 111.873 175.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 m -134.89 112.84 10.99 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.684 1.594 . . . . 0.0 110.766 -174.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -71.9 -28.42 63.48 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.8 p -61.35 -55.92 26.21 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.248 1.019 . . . . 0.0 110.772 169.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -55.9 -37.01 68.31 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.548 1.139 . . . . 0.0 112.188 176.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.5 mt -56.58 -40.22 74.84 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.391 0.996 . . . . 0.0 112.959 177.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -75.93 -35.27 59.81 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.574 0.625 . . . . 0.0 112.305 176.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.4 mm -70.72 -32.78 50.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 O-C-N 120.731 -1.23 . . . . 0.0 111.989 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.9 mt -55.16 -28.43 52.79 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.143 0.977 . . . . 0.0 112.67 175.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 49.6 mtm -64.3 -47.16 80.53 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.133 0.878 . . . . 0.0 112.106 171.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 12.3 mmt -71.43 -38.74 71.34 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.814 1.246 . . . . 0.0 111.262 -178.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -61.7 -52.2 65.27 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.143 0.977 . . . . 0.0 111.448 171.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -40.18 93.99 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.652 1.115 . . . . 0.0 111.543 177.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -55.01 -51.82 65.07 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.003 0.921 . . . . 0.0 111.07 172.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.4 t -69.3 -34.4 74.64 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -65.64 -40.71 92.8 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.352 1.061 . . . . 0.0 110.833 175.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 17.8 t -64.36 -47.37 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.459 1.504 . . . . 0.0 111.64 172.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -61.68 -41.23 97.28 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.311 0.645 . . . . 0.0 111.421 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -65.84 -39.83 91.19 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.668 -0.645 . . . . 0.0 111.84 172.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.59 -36.53 83.03 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 119.534 1.061 . . . . 0.0 112.01 177.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.5 t -61.16 -51.4 73.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 118.653 0.661 . . . . 0.0 110.301 169.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.0 t -60.24 -35.59 75.82 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.544 0.738 . . . . 0.0 112.895 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -66.55 -15.08 63.14 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.478 1.911 . . . . 0.0 113.344 175.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -105.48 -12.79 15.85 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.617 1.967 . . . . 0.0 113.922 170.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -73.6 -19.59 60.83 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 120.058 -1.651 . . . . 0.0 114.093 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.94 0 C-N-CA 125.441 1.496 . . . . 0.0 113.504 -176.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 10.4 mp . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 119.094 -0.479 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -68.9 -38.75 79.82 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -173.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 m -62.47 -26.96 68.8 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.315 -1.491 . . . . 0.0 112.223 166.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.36 -38.05 65.84 Favored 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 124.065 0.946 . . . . 0.0 112.735 175.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -72.08 -32.2 66.8 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 118.743 -0.646 . . . . 0.0 111.42 172.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -72.02 -42.37 66.46 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 178.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -64.45 -41.43 96.55 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.925 172.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.97 -48.79 75.05 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -63.26 -38.25 90.43 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.32 -0.863 . . . . 0.0 112.156 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -66.65 -39.77 88.38 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.607 0.763 . . . . 0.0 111.982 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -63.55 -44.38 94.35 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.174 1.39 . . . . 0.0 112.609 177.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.1 m -77.84 -29.25 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 121.273 -0.892 . . . . 0.0 112.072 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -58.43 -54.12 50.62 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.925 1.29 . . . . 0.0 111.695 167.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.46 -35.63 81.07 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.41 0.55 . . . . 0.0 112.462 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -69.87 -44.0 70.7 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.53 -0.731 . . . . 0.0 112.322 176.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 t -60.52 -48.96 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 119.513 1.051 . . . . 0.0 111.464 175.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -64.74 -34.08 77.48 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 120.369 1.44 . . . . 0.0 112.478 177.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -70.46 -42.21 71.74 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.631 0.65 . . . . 0.0 110.303 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.9 mm -72.48 -29.73 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 124.609 1.163 . . . . 0.0 112.138 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.7 t -59.24 -44.16 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 119.531 1.059 . . . . 0.0 110.36 162.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.62 -43.84 97.35 Favored Glycine 0 CA--C 1.535 1.322 0 O-C-N 121.621 -0.675 . . . . 0.0 114.03 172.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -63.46 -32.52 73.99 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.63 1.215 . . . . 0.0 112.08 173.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.2 t -63.21 -47.95 80.36 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.158 -0.964 . . . . 0.0 111.091 171.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -72.51 1.14 8.63 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 171.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.4 -37.23 12.09 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.05 -1.031 . . . . 0.0 112.045 164.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.6 ptpt -95.44 -15.32 23.06 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 115.613 1.708 . . . . 0.0 115.613 -178.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.8 p -90.49 -177.42 5.05 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.792 1.178 . . . . 0.0 114.115 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.16 156.58 43.52 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.107 2.163 . . . . 0.0 109.786 -175.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -41.5 -43.3 2.61 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.799 1.64 . . . . 0.0 112.903 163.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.41 -20.56 65.65 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.583 1.153 . . . . 0.0 113.056 178.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -120.35 27.8 8.39 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.289 2.236 . . . . 0.0 112.46 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.5 t60 -52.54 -44.74 65.98 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.675 -0.64 . . . . 0.0 111.426 176.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.2 m -46.68 -51.84 15.11 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.207 1.403 . . . . 0.0 113.595 171.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.3 mm -67.71 -34.58 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 123.69 0.796 . . . . 0.0 110.301 -175.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.3 m -67.09 -44.2 80.63 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.266 1.026 . . . . 0.0 111.088 174.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 75.6 t -65.35 -40.05 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.442 1.097 . . . . 0.0 111.903 175.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.28 83.29 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.412 0.551 . . . . 0.0 111.439 175.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.0 tp -66.52 -34.41 77.85 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.802 0.728 . . . . 0.0 112.488 176.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.0 t -58.68 -48.18 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 121.077 -1.014 . . . . 0.0 111.642 170.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -68.57 -30.71 69.53 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 119.01 -0.519 . . . . 0.0 112.168 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -69.6 -47.97 61.7 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.768 0.713 . . . . 0.0 111.801 173.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.3 mt -57.93 -36.35 72.38 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 120.567 -1.333 . . . . 0.0 111.43 174.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -72.78 -27.28 61.91 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 171.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -71.59 -49.05 44.1 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.316 1.446 . . . . 0.0 109.062 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 75.6 mt -59.0 -44.65 91.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 124.64 1.176 . . . . 0.0 110.186 173.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -60.21 -53.95 51.57 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 118.259 0.481 . . . . 0.0 111.779 176.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -58.43 -44.9 89.3 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.018 0.927 . . . . 0.0 112.112 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -58.48 -52.43 65.67 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.236 1.014 . . . . 0.0 111.139 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -77.91 -28.33 49.75 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 118.097 -0.954 . . . . 0.0 113.497 -176.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.5 mt -59.58 -43.53 93.63 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 120.649 1.568 . . . . 0.0 111.066 166.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.1 -28.16 66.24 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 118.408 0.549 . . . . 0.0 112.433 178.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -70.18 -48.96 54.98 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 118.934 0.788 . . . . 0.0 110.291 170.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.8 mt -62.66 -42.07 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 125.619 1.568 . . . . 0.0 111.68 -175.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.9 -30.86 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 O-C-N 120.581 -1.325 . . . . 0.0 113.654 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -96.1 1.2 52.29 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.118 1.767 . . . . 0.0 113.134 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.3 m -71.52 105.21 3.53 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 120.607 -1.308 . . . . 0.0 112.835 -173.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.3 t -81.74 30.53 0.37 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.628 1.571 . . . . 0.0 112.953 -177.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.9 m -162.1 127.23 3.39 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.786 1.634 . . . . 0.0 112.256 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -73.03 -28.56 62.42 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.7 p -57.81 -59.65 4.91 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.467 1.507 . . . . 0.0 110.662 169.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -54.52 -41.26 69.47 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.751 1.22 . . . . 0.0 112.261 176.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.2 mt -56.49 -41.02 75.91 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -67.72 -39.91 84.3 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.116 0.416 . . . . 0.0 111.593 174.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.2 mm -68.75 -33.69 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 O-C-N 120.726 -1.234 . . . . 0.0 112.171 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.8 mt -58.8 -26.15 63.81 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.446 -0.784 . . . . 0.0 113.109 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 35.9 mtm -64.45 -49.64 70.64 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.159 0.89 . . . . 0.0 111.321 170.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 30.9 mtm -68.75 -41.07 79.43 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.479 0.712 . . . . 0.0 112.054 -179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -64.7 -46.02 84.11 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.341 0.656 . . . . 0.0 112.21 176.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.7 p -66.27 -36.83 83.99 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.272 -0.893 . . . . 0.0 112.247 175.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -58.77 -44.79 90.72 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.044 0.838 . . . . 0.0 111.496 171.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 75.7 m -60.36 -41.43 93.65 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 118.394 -0.812 . . . . 0.0 112.214 174.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -65.65 -40.4 92.44 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.736 1.153 . . . . 0.0 113.383 174.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.6 t -63.24 -44.83 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.281 0.633 . . . . 0.0 110.847 177.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -69.26 -40.46 77.83 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 122.955 0.502 . . . . 0.0 111.95 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -55.91 -42.49 76.14 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.143 1.377 . . . . 0.0 111.63 172.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.6 73.03 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.789 0.835 . . . . 0.0 111.73 176.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.9 t -56.94 -47.51 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.312 0.96 . . . . 0.0 110.745 174.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.0 t -68.1 -33.07 73.84 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -67.06 -34.99 78.89 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.83 1.252 . . . . 0.0 112.619 171.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -82.52 -29.16 30.61 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -89.4 16.99 6.64 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt . . . . . 0 C--O 1.248 0.975 0 CA-C-O 116.159 -1.877 . . . . 0.0 112.529 171.918 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -50.67 -44.01 57.54 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.482 1.913 . . . . 0.0 115.823 -178.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -74.18 -30.46 62.24 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.319 -0.863 . . . . 0.0 111.975 177.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.96 -46.09 58.69 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.878 1.271 . . . . 0.0 111.099 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -2.84 12.92 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.83 -39.71 11.61 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.616 1.566 . . . . 0.0 113.747 160.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -66.78 -43.78 83.08 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.961 1.304 . . . . 0.0 112.605 178.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.09 -40.95 97.33 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.424 0.69 . . . . 0.0 112.619 176.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.2 ptt85 -72.0 -32.21 66.98 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 120.88 -1.138 . . . . 0.0 113.099 175.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -60.57 -38.42 84.5 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.785 0.834 . . . . 0.0 111.983 174.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -61.89 -49.01 77.93 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.409 0.684 . . . . 0.0 111.862 176.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.8 m -78.88 -26.5 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -56.84 -52.57 64.57 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.34 1.056 . . . . 0.0 111.196 167.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -73.1 -26.17 61.15 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.727 0.694 . . . . 0.0 112.556 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -66.56 -53.02 39.13 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.744 0.702 . . . . 0.0 111.975 171.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.2 t -55.11 -50.93 59.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.561 1.145 . . . . 0.0 110.256 172.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -60.09 -38.83 84.1 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.203 1.001 . . . . 0.0 112.949 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -67.86 -45.43 74.59 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.577 0.626 . . . . 0.0 110.891 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.0 mm -71.0 -29.67 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 C-N-CA 123.668 0.787 . . . . 0.0 111.524 -177.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.7 t -62.42 -45.66 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.684 1.194 . . . . 0.0 111.03 166.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.37 -43.6 98.83 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 123.38 0.514 . . . . 0.0 113.173 175.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -72.17 -32.38 66.78 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.276 1.03 . . . . 0.0 113.374 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.7 t -55.43 -46.91 76.65 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.377 1.071 . . . . 0.0 111.192 172.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -68.67 -47.84 65.46 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.972 -0.455 . . . . 0.0 112.118 170.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.36 -30.8 71.87 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -172.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -80.19 -4.82 54.62 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.715 1.206 . . . . 0.0 113.948 175.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 t -130.09 -164.36 1.41 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.226 1.411 . . . . 0.0 113.323 -164.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.0 p -150.23 164.69 35.05 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.071 1.748 . . . . 0.0 113.358 -169.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -67.08 -17.66 64.98 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.574 1.149 . . . . 0.0 112.9 177.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.4 mppt? -63.53 -41.0 98.49 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.76 0.824 . . . . 0.0 111.414 168.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -96.01 18.11 14.07 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.035 1.334 . . . . 0.0 113.759 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -57.83 -36.37 72.17 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -165.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 m -58.57 -38.98 79.05 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.884 0.874 . . . . 0.0 112.398 175.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 40.1 mt -72.08 -42.27 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.23 1.012 . . . . 0.0 109.905 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.9 p -63.2 -43.34 98.44 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.72 -0.612 . . . . 0.0 112.007 173.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 43.5 t -61.75 -40.04 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 123.549 0.74 . . . . 0.0 111.544 175.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.1 -46.83 76.25 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.401 1.001 . . . . 0.0 112.334 176.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.4 tp -61.89 -39.41 91.86 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.613 -0.679 . . . . 0.0 111.894 174.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 53.3 t -69.07 -39.84 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 121.078 -1.013 . . . . 0.0 112.171 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -57.67 -41.6 81.84 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 119.127 -0.463 . . . . 0.0 111.314 170.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -71.01 -45.76 63.38 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.711 0.687 . . . . 0.0 112.323 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.3 mt -53.2 -39.77 63.95 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 120.739 -1.226 . . . . 0.0 112.08 173.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -77.35 -26.11 51.68 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 174.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -70.27 -44.59 68.13 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.221 1.008 . . . . 0.0 109.662 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 58.7 mt -57.85 -45.12 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 124.524 1.129 . . . . 0.0 109.885 169.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -61.73 -41.87 98.21 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 118.171 -0.919 . . . . 0.0 112.366 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -63.89 -43.57 95.61 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.909 1.231 . . . . 0.0 112.581 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -63.89 -51.71 63.31 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 123.402 0.439 . . . . 0.0 111.272 172.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -76.69 -24.34 53.18 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.947 -1.095 . . . . 0.0 113.069 -171.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.2 mt -58.53 -46.19 87.3 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 120.179 1.354 . . . . 0.0 110.611 162.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.82 -21.31 62.48 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.662 0.785 . . . . 0.0 112.918 178.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -79.19 -48.86 13.47 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.346 1.059 . . . . 0.0 111.886 169.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.9 mt -67.99 -39.95 82.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.647 0.779 . . . . 0.0 111.043 -174.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.9 p -60.68 -27.78 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 O-C-N 120.872 -1.142 . . . . 0.0 112.24 173.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -110.59 3.42 19.38 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.195 1.798 . . . . 0.0 113.651 -166.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.8 t -63.02 124.19 20.47 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.341 -1.474 . . . . 0.0 109.712 -177.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.9 t -74.54 -29.24 61.3 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.5 t -97.5 131.47 44.09 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.3 1.04 . . . . 0.0 111.944 174.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -77.39 -6.79 54.66 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.083 0.953 . . . . 0.0 113.288 171.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.4 t -87.1 -43.05 12.57 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.894 0.878 . . . . 0.0 110.013 166.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -61.3 -32.89 72.74 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 118.418 -0.801 . . . . 0.0 112.269 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.6 mt -48.24 -45.09 33.83 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.655 1.116 . . . . 0.0 112.899 170.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -73.56 -21.66 60.3 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.4 mm -77.41 -37.78 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 124.013 0.925 . . . . 0.0 112.653 170.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -53.76 -28.31 33.87 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.884 1.22 . . . . 0.0 112.321 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 69.8 mtm -58.28 -49.32 77.56 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.05 0.94 . . . . 0.0 113.062 170.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 33.7 mtm -71.99 -36.84 69.88 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.182 0.993 . . . . 0.0 111.398 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -62.47 -51.3 68.01 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.247 0.476 . . . . 0.0 112.125 175.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 t -68.15 -30.44 69.56 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 117.736 -1.126 . . . . 0.0 112.544 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 -58.89 -47.03 86.42 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.432 1.469 . . . . 0.0 111.617 167.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.4 m -60.31 -41.54 93.67 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.066 0.848 . . . . 0.0 112.222 174.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.403 ' HE2' ' HA ' ' A' ' 72' ' ' LYS . 10.9 mmpt? -65.26 -40.11 93.53 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.323 0.965 . . . . 0.0 112.48 176.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.7 t -66.09 -45.73 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.312 1.045 . . . . 0.0 111.415 176.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -65.51 -38.2 89.0 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.991 0.916 . . . . 0.0 111.975 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -59.84 -44.96 93.81 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 124.438 1.095 . . . . 0.0 111.652 169.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.62 -46.96 87.56 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.434 1.016 . . . . 0.0 111.853 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.7 t -59.54 -47.46 90.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 O-C-N 121.597 -0.689 . . . . 0.0 110.687 174.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.0 t -62.92 -34.15 76.84 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.012 0.925 . . . . 0.0 112.661 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -70.03 -41.58 74.07 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.836 1.254 . . . . 0.0 111.906 175.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -83.63 -16.33 45.6 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 -177.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -9.69 59.05 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 172.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? . . . . . 0 C--O 1.247 0.961 0 C-N-CA 124.268 1.027 . . . . 0.0 111.965 166.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 118.838 -0.601 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -60.83 -47.94 84.06 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -156.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.6 p -76.37 -23.07 54.12 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 120.282 -1.511 . . . . 0.0 113.752 176.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -68.33 -39.68 81.85 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.68 0.792 . . . . 0.0 112.235 170.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.2 ptt85 -74.48 -32.07 62.43 Favored 'General case' 0 N--CA 1.463 0.203 0 O-C-N 121.505 -0.747 . . . . 0.0 111.732 173.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -66.71 -45.01 80.12 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 118.273 0.488 . . . . 0.0 111.46 177.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -66.3 -38.38 87.6 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 119.2 -0.429 . . . . 0.0 111.213 174.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.32 -38.33 90.74 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -72.13 -42.11 66.38 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.828 0.74 . . . . 0.0 112.482 169.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -69.94 -25.94 63.89 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 118.091 -0.957 . . . . 0.0 113.175 -174.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -55.88 -64.62 0.79 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.575 1.55 . . . . 0.0 110.43 162.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.0 m -70.27 -24.46 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 121.583 -0.698 . . . . 0.0 112.716 -172.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.02 -35.97 77.24 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 117.818 -1.087 . . . . 0.0 112.836 168.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -40.54 76.23 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 120.973 1.715 . . . . 0.0 109.33 169.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -63.51 -48.81 76.06 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.961 0.905 . . . . 0.0 111.39 -172.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.0 t -61.34 -52.16 64.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 123.842 0.857 . . . . 0.0 111.198 175.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -68.26 -28.21 67.01 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 120.391 1.45 . . . . 0.0 113.098 -177.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -72.23 -49.24 36.75 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.855 1.262 . . . . 0.0 110.278 175.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.9 mm -69.78 -28.95 38.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 123.79 0.836 . . . . 0.0 111.455 -177.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.9 t -56.8 -48.69 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-N 119.293 0.951 . . . . 0.0 110.788 163.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.08 -47.27 91.03 Favored Glycine 0 CA--C 1.533 1.218 0 CA-C-N 118.746 0.703 . . . . 0.0 113.601 175.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -61.74 -31.28 71.45 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.503 -0.998 . . . . 0.0 112.293 175.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.8 p -69.37 -43.75 72.92 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 121.545 -0.722 . . . . 0.0 112.121 175.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -67.6 -36.17 80.36 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.495 0.589 . . . . 0.0 111.956 173.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -26.12 66.06 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.485 0.921 . . . . 0.0 113.485 174.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 pttp -108.38 14.25 24.93 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 174.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.8 p -84.88 171.94 11.8 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.626 1.17 . . . . 0.0 113.325 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.3 p -142.31 160.15 40.83 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.673 1.189 . . . . 0.0 110.336 166.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -51.47 -38.31 53.16 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.324 1.05 . . . . 0.0 111.825 167.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -68.18 -32.46 72.73 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.912 2.485 . . . . 0.0 113.313 -178.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.4 mmm-85 -117.11 26.95 9.42 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.781 1.632 . . . . 0.0 112.443 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -57.77 -39.31 77.16 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.539 -0.726 . . . . 0.0 112.023 -176.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.4 m -48.95 -43.22 39.58 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.589 1.556 . . . . 0.0 113.638 173.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.7 mm -65.95 -40.58 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 124.176 0.991 . . . . 0.0 110.353 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.5 m -68.73 -46.16 69.64 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.035 0.934 . . . . 0.0 109.837 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.1 t -56.44 -48.77 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.239 1.016 . . . . 0.0 111.094 173.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.87 -46.05 89.7 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.108 0.867 . . . . 0.0 112.269 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.9 tp -58.69 -49.89 75.91 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.225 1.01 . . . . 0.0 111.842 174.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.03 -36.01 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 121.239 -0.913 . . . . 0.0 112.217 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -71.34 -27.34 63.3 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 176.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -83.85 -39.89 19.35 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.765 0.826 . . . . 0.0 112.397 173.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.2 mt -54.73 -42.91 72.14 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.648 -1.282 . . . . 0.0 112.39 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -74.66 -23.95 58.74 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.72 1.008 . . . . 0.0 113.72 177.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -63.23 -46.51 86.63 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.44 1.896 . . . . 0.0 110.92 173.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.6 mt -60.0 -41.49 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.68 0.792 . . . . 0.0 109.59 172.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -56.3 -45.25 80.32 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 118.355 -0.831 . . . . 0.0 111.65 177.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -62.02 -52.52 63.65 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.282 0.946 . . . . 0.0 112.003 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -58.62 -39.46 80.55 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.05 0.94 . . . . 0.0 112.044 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -87.19 -29.88 21.42 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 118.378 -0.82 . . . . 0.0 112.632 -178.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.8 mt -55.57 -42.1 74.24 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 120.426 1.466 . . . . 0.0 112.04 169.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -61.46 -49.09 78.22 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.875 0.87 . . . . 0.0 111.492 172.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -62.84 -32.81 74.1 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.185 -0.947 . . . . 0.0 111.959 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 76.2 mt -74.25 -32.7 32.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 C-N-CA 125.03 1.332 . . . . 0.0 111.746 178.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.9 p -78.72 -31.8 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 O-C-N 120.227 -1.546 . . . . 0.0 112.91 169.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -81.55 -3.27 52.76 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.2 m -74.12 132.87 42.67 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 124.352 1.061 . . . . 0.0 113.202 -174.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.9 p -96.51 -4.99 40.46 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.179 1.392 . . . . 0.0 114.229 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.1 m -137.12 135.31 37.3 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.632 1.173 . . . . 0.0 112.737 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 56.9 mp0 -53.08 -35.1 59.22 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.521 1.128 . . . . 0.0 112.599 165.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.0 t -56.67 -59.92 4.31 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.718 0.807 . . . . 0.0 112.193 176.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -64.83 -32.19 73.77 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.417 -0.802 . . . . 0.0 111.915 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 39.8 mt -56.59 -43.39 80.02 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.036 0.834 . . . . 0.0 112.616 175.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -66.08 -41.95 90.03 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.366 0.53 . . . . 0.0 111.419 175.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.5 mm -69.15 -32.29 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 O-C-N 120.696 -1.253 . . . . 0.0 112.251 -177.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.2 mt -59.02 -28.66 66.61 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.103 0.865 . . . . 0.0 113.123 173.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 32.0 mtm -62.61 -54.23 42.72 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 118.856 0.753 . . . . 0.0 110.546 168.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 31.5 mtm -66.11 -34.51 78.21 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.127 0.971 . . . . 0.0 112.768 -176.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -68.28 -47.36 67.87 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.774 1.229 . . . . 0.0 112.232 172.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.8 t -61.12 -43.8 98.33 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.683 -0.636 . . . . 0.0 110.913 175.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.2 mtp85 -60.87 -44.74 96.63 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.728 1.611 . . . . 0.0 112.456 175.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.9 m -57.76 -40.69 80.35 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.902 0.881 . . . . 0.0 111.608 175.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -76.81 -26.63 54.63 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 177.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.1 t -67.96 -49.56 67.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 123.989 0.915 . . . . 0.0 110.944 168.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -63.52 -36.5 83.98 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.023 0.929 . . . . 0.0 111.975 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -63.2 -50.25 71.02 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 118.352 -0.832 . . . . 0.0 111.008 168.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.65 -47.01 80.71 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 120.075 1.307 . . . . 0.0 111.346 -177.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.7 t -53.27 -58.18 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.22 0.608 . . . . 0.0 110.171 172.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.5 m -65.72 -30.79 71.51 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.934 1.294 . . . . 0.0 113.348 -171.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -73.87 -32.07 63.45 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 128.48 2.712 . . . . 0.0 112.546 174.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -84.95 -7.06 59.31 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 169.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -71.74 -6.61 42.58 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 119.865 -1.772 . . . . 0.0 114.618 172.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.031 0 C-N-CA 125.451 1.5 . . . . 0.0 114.352 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.663 0.268 . . . . 0.0 111.49 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.63 -47.74 84.89 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.341 1.856 . . . . 0.0 110.908 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 p -66.18 -17.93 65.03 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 126.603 1.961 . . . . 0.0 114.319 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -89.58 -46.64 8.52 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 124.101 0.96 . . . . 0.0 111.462 174.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -69.51 -26.24 64.44 Favored 'General case' 0 C--N 1.332 -0.169 0 O-C-N 121.713 -0.617 . . . . 0.0 112.593 -178.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -60.58 -39.51 88.3 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.827 0.739 . . . . 0.0 112.164 171.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -66.01 -42.22 89.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 122.489 0.316 . . . . 0.0 110.858 175.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.75 92.65 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -65.7 -35.19 80.06 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 121.047 -1.033 . . . . 0.0 112.196 173.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -62.42 -46.4 88.72 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.978 0.808 . . . . 0.0 110.905 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -57.33 -46.53 83.18 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.923 0.783 . . . . 0.0 112.631 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.6 m -73.54 -30.06 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -62.0 -47.67 83.74 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.925 0.89 . . . . 0.0 111.601 169.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -61.46 -48.07 82.8 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.329 1.051 . . . . 0.0 112.473 175.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -64.6 -42.8 95.34 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.542 0.61 . . . . 0.0 111.666 -176.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.7 t -63.47 -50.82 76.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 O-C-N 121.552 -0.718 . . . . 0.0 110.942 174.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -72.8 -25.61 61.21 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.78 1.173 . . . . 0.0 114.009 -174.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -60.35 -46.77 88.74 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.552 1.141 . . . . 0.0 109.582 168.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.6 mt -80.01 -26.36 12.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 124.009 0.924 . . . . 0.0 111.763 -172.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.4 t -58.45 -49.68 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 CA-C-N 119.343 0.974 . . . . 0.0 111.188 161.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.15 -42.34 99.47 Favored Glycine 0 CA--C 1.535 1.282 0 O-C-N 121.464 -0.772 . . . . 0.0 113.413 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -74.25 -19.35 60.54 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 176.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.9 t -66.82 -51.57 54.09 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.383 1.073 . . . . 0.0 110.677 169.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -59.71 -24.54 64.06 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 171.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.49 -13.97 59.79 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -116.1 -28.94 6.44 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.4 p -77.14 -179.55 5.67 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.669 1.122 . . . . 0.0 112.412 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 t -132.47 153.43 50.89 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.281 1.432 . . . . 0.0 109.487 167.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -62.89 -17.86 62.22 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 173.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -12.73 61.34 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 168.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -129.26 31.96 4.77 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 127.11 2.164 . . . . 0.0 111.158 170.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -47.43 -38.75 14.04 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.175 1.39 . . . . 0.0 112.299 -172.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -39.71 -42.43 1.24 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 129.521 3.128 . . . . 0.0 114.487 173.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 50.2 mm -68.97 -48.19 71.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.139 0.976 . . . . 0.0 110.226 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -49.01 77.89 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.203 1.001 . . . . 0.0 111.594 175.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.8 p -72.06 -35.4 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 118.745 -0.645 . . . . 0.0 112.28 -175.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.48 93.18 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.579 1.081 . . . . 0.0 111.746 173.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 tp -64.59 -40.76 96.11 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.309 0.644 . . . . 0.0 111.936 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 50.5 t -63.95 -40.62 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 O-C-N 120.922 -1.111 . . . . 0.0 111.871 173.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -62.76 -32.61 73.79 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.366 1.066 . . . . 0.0 112.357 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -85.84 -39.98 16.48 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.164 0.893 . . . . 0.0 113.023 171.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -51.07 -43.19 60.97 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.403 -1.435 . . . . 0.0 112.587 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -77.62 -23.81 49.72 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 176.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -68.51 -49.42 59.76 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.812 1.245 . . . . 0.0 110.16 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.2 mt -54.85 -46.79 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 124.112 0.965 . . . . 0.0 109.506 172.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -62.78 -43.65 98.25 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 118.667 -0.683 . . . . 0.0 112.203 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.75 -44.69 82.0 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.092 0.957 . . . . 0.0 112.204 175.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -71.49 -48.54 48.47 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.544 0.738 . . . . 0.0 110.968 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.417 ' CD2' ' HB2' ' A' ' 69' ' ' SER . 6.4 m-85 -68.38 -35.76 78.16 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-O 117.421 -1.276 . . . . 0.0 112.164 -177.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.6 mt -55.4 -44.98 76.66 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.402 1.455 . . . . 0.0 112.107 170.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -61.63 -37.48 84.14 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.134 0.425 . . . . 0.0 111.208 174.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -74.94 -14.47 60.64 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.368 1.067 . . . . 0.0 113.211 175.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.5 mm -75.74 -54.56 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-N 120.388 1.449 . . . . 0.0 109.999 168.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.7 p -66.95 -25.49 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 O-C-N 121.477 -0.765 . . . . 0.0 112.071 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -110.13 25.12 12.14 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.532 1.533 . . . . 0.0 113.076 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -67.76 150.59 48.46 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.39 -0.819 . . . . 0.0 112.038 169.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.3 p -117.14 -10.35 10.86 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -168.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.5 m -145.01 151.24 38.26 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.234 1.414 . . . . 0.0 110.65 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -71.68 -33.68 69.03 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.258 -0.901 . . . . 0.0 112.402 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.9 p -67.82 -40.75 83.76 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.638 1.175 . . . . 0.0 111.919 170.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -59.33 -37.5 77.96 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.038 0.935 . . . . 0.0 111.828 177.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.9 mt -57.68 -35.77 71.03 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 173.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -66.62 -47.64 71.99 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.915 0.78 . . . . 0.0 111.163 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.6 mm -71.75 -31.17 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 120.831 -1.168 . . . . 0.0 111.875 -171.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -48.34 -34.86 11.33 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.634 1.174 . . . . 0.0 113.065 168.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 31.3 mtm -68.63 -49.63 57.65 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.321 0.648 . . . . 0.0 112.255 176.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -68.37 -37.03 80.04 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.634 0.773 . . . . 0.0 111.722 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -67.26 -42.89 83.15 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.095 -1.003 . . . . 0.0 111.793 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.417 ' HB2' ' CD2' ' A' ' 49' ' ' TYR . 2.6 t -63.46 -39.7 95.16 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.273 0.942 . . . . 0.0 112.673 170.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -58.17 -45.75 86.94 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.984 1.265 . . . . 0.0 111.336 174.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.9 t -66.75 -34.7 78.42 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 175.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -62.74 -40.36 96.99 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 120.866 -1.146 . . . . 0.0 112.035 169.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.2 t -70.89 -37.1 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 118.542 0.61 . . . . 0.0 111.167 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -59.62 -41.05 89.56 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.83 0.741 . . . . 0.0 112.238 170.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -62.84 -43.21 99.41 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.381 0.991 . . . . 0.0 111.299 172.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.29 -45.43 94.51 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.507 -0.745 . . . . 0.0 111.856 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 72.3 t -61.57 -52.46 60.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.359 -0.838 . . . . 0.0 110.694 174.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.3 p -60.93 -41.43 96.21 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 121.717 -0.614 . . . . 0.0 111.902 -175.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -77.59 -3.99 43.58 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.817 2.047 . . . . 0.0 115.047 178.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -118.91 -9.21 10.14 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 168.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.99 -23.0 66.49 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 120.866 -1.146 . . . . 0.0 113.225 172.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.147 0 C-N-CA 126.981 2.112 . . . . 0.0 111.665 170.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.95 -60.61 2.91 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 127.146 2.179 . . . . 0.0 114.914 -178.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -60.58 -31.52 70.66 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.488 1.04 . . . . 0.0 112.759 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -68.33 -49.66 58.75 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.883 1.673 . . . . 0.0 111.847 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.3 ptt85 -68.1 -22.27 64.92 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -71.74 -53.22 14.15 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.086 0.554 . . . . 0.0 111.401 170.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -62.57 -36.29 82.22 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 120.893 -1.129 . . . . 0.0 112.608 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.69 80.67 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.287 1.035 . . . . 0.0 112.717 172.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.9 ptt85 -69.32 -34.53 74.81 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.272 -0.893 . . . . 0.0 112.44 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -67.9 -38.86 83.53 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.133 -0.937 . . . . 0.0 112.034 177.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -57.08 -43.16 81.87 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.157 0.89 . . . . 0.0 112.131 176.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.6 m -74.91 -25.63 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -66.61 -44.56 81.79 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.569 1.077 . . . . 0.0 111.984 165.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -57.73 -47.89 81.14 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.691 1.132 . . . . 0.0 112.741 174.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -65.49 -42.17 92.48 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.266 0.484 . . . . 0.0 111.766 -178.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.3 t -57.04 -45.47 83.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 O-C-N 121.383 -0.823 . . . . 0.0 111.095 169.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -65.16 -37.1 86.31 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 120.506 1.503 . . . . 0.0 113.412 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -61.77 -51.66 67.42 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.198 0.599 . . . . 0.0 110.53 172.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.6 mm -69.9 -32.07 50.38 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 124.763 1.225 . . . . 0.0 111.452 -174.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.1 t -59.42 -45.05 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.886 1.275 . . . . 0.0 110.816 167.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.9 -44.19 97.79 Favored Glycine 0 CA--C 1.532 1.131 0 CA-C-N 118.739 0.7 . . . . 0.0 113.089 174.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -67.58 -30.43 70.05 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.447 -1.031 . . . . 0.0 112.436 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.9 t -65.42 -30.15 70.92 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.513 1.525 . . . . 0.0 113.038 171.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -75.95 -41.52 51.34 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.286 -0.884 . . . . 0.0 112.094 166.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.93 -35.07 79.46 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -175.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.421 ' HZ1' ' CD ' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -81.14 -22.24 39.18 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 178.728 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.6 p -88.97 -159.08 0.54 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.786 1.234 . . . . 0.0 111.889 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.5 m -154.24 152.14 29.97 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.716 2.006 . . . . 0.0 107.28 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -52.57 -42.66 64.67 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 120.49 1.495 . . . . 0.0 113.101 -174.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -60.74 -20.07 60.44 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 175.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -107.58 17.36 22.77 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.426 1.89 . . . . 0.0 112.854 176.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -52.08 -36.22 50.08 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -172.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.7 m -56.54 -31.15 63.87 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.146 0.884 . . . . 0.0 112.961 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.9 mm -66.11 -49.22 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 119.18 0.9 . . . . 0.0 110.705 175.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.8 m -61.01 -49.04 79.02 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 123.339 0.656 . . . . 0.0 110.454 175.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.91 -36.03 69.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 123.879 0.872 . . . . 0.0 111.48 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.65 -47.39 66.66 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.251 0.932 . . . . 0.0 112.877 173.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.6 tp -64.2 -38.69 91.94 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.326 -0.859 . . . . 0.0 111.889 175.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.5 t -62.84 -39.55 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.239 1.416 . . . . 0.0 111.312 174.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -62.06 -42.67 99.43 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.135 0.425 . . . . 0.0 111.843 172.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -65.67 -47.3 75.96 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.403 0.547 . . . . 0.0 110.947 177.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.1 mt -54.08 -44.34 71.1 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.654 1.181 . . . . 0.0 112.281 175.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -67.8 -27.01 66.37 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 174.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -81.51 -36.67 28.94 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.948 1.249 . . . . 0.0 111.468 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 52.6 mt -61.05 -46.75 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 166.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -52.14 -50.08 62.43 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.162 0.585 . . . . 0.0 110.902 173.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.12 -52.01 67.55 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.185 1.394 . . . . 0.0 113.846 177.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -66.27 -36.56 83.3 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.228 0.467 . . . . 0.0 110.894 -177.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -78.58 -32.54 47.73 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 118.28 -0.867 . . . . 0.0 112.812 176.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.3 mt -53.92 -45.13 71.08 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.299 1.408 . . . . 0.0 110.924 166.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -63.82 -49.95 70.84 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.25 0.62 . . . . 0.0 111.768 173.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -67.45 -26.66 66.51 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.364 0.983 . . . . 0.0 112.824 -174.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.5 mt -82.08 -44.39 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 125.266 1.426 . . . . 0.0 110.765 176.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.2 t -70.4 -28.54 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 O-C-N 120.914 -1.116 . . . . 0.0 112.294 177.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -79.83 -7.92 58.98 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.098 -1.001 . . . . 0.0 113.514 173.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 t -81.9 175.28 10.53 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 120.93 -1.106 . . . . 0.0 113.27 -178.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -142.73 -38.89 0.35 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.79 1.636 . . . . 0.0 112.401 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.42 ' C ' ' H ' ' A' ' 60' ' ' SER . 16.2 m -76.95 119.54 20.83 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.99 0.916 . . . . 0.0 112.189 -172.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -71.72 31.73 0.05 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.59 1.556 . . . . 0.0 113.564 174.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 58' ' ' SER . 1.7 t -127.32 -56.94 1.31 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.794 2.038 . . . . 0.0 108.396 171.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -64.71 -33.24 75.48 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.49 -1.381 . . . . 0.0 112.907 173.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.3 mt -53.33 -34.85 59.11 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.61 0.764 . . . . 0.0 112.092 169.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -78.26 -44.68 24.84 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.242 0.617 . . . . 0.0 110.515 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.0 mm -66.82 -31.04 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 120.964 -1.085 . . . . 0.0 112.157 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.0 mt -54.68 -28.34 46.87 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 173.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 50.1 mtm -65.83 -49.12 69.33 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.15 0.886 . . . . 0.0 111.885 170.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -69.77 -32.48 71.0 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.521 1.129 . . . . 0.0 112.502 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -65.87 -45.54 81.7 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.762 0.825 . . . . 0.0 111.546 169.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.6 m -61.68 -43.31 99.1 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.139 0.427 . . . . 0.0 111.173 176.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -53.59 -52.23 60.48 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.872 1.669 . . . . 0.0 111.617 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.5 t -65.52 -38.3 89.27 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -73.82 -30.88 62.95 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.7 t -66.15 -46.66 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.856 1.263 . . . . 0.0 110.742 167.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.69 -36.78 85.39 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.51 0.724 . . . . 0.0 112.425 177.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.98 -45.37 89.37 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.005 0.922 . . . . 0.0 111.514 171.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.41 -47.93 80.44 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.551 0.614 . . . . 0.0 111.231 174.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -57.65 -55.55 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 123.624 0.77 . . . . 0.0 110.721 175.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.5 t -75.33 -14.63 60.5 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -172.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -77.87 -27.59 49.77 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.757 2.023 . . . . 0.0 113.003 166.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -95.39 -37.57 10.89 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.917 0.887 . . . . 0.0 113.166 177.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.421 ' CD ' ' HZ1' ' A' ' 26' ' ' LYS . 1.7 pt-20 -86.01 3.64 41.38 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -175.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt . . . . . 0 C--O 1.25 1.131 0 C-N-CA 126.925 2.09 . . . . 0.0 110.764 176.768 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 60.7 tp . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -70.66 -38.3 73.78 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.738 1.215 . . . . 0.0 112.919 -170.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 p -58.92 -20.25 50.14 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.391 1.076 . . . . 0.0 113.437 166.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.75 -35.78 16.5 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.512 1.125 . . . . 0.0 113.023 174.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 -69.65 -29.52 67.0 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 121.422 -0.798 . . . . 0.0 112.241 174.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -65.12 -44.03 90.05 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.337 0.517 . . . . 0.0 111.831 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -68.19 -37.71 81.23 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.736 -0.603 . . . . 0.0 111.849 172.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.05 -44.42 95.92 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -63.27 -40.53 97.66 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.999 0.818 . . . . 0.0 110.967 174.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -66.68 -43.96 83.08 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 117.712 -1.137 . . . . 0.0 111.613 -177.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -58.34 -44.51 88.74 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.546 1.138 . . . . 0.0 111.689 178.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.3 m -80.34 -30.59 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 121.577 -0.702 . . . . 0.0 112.858 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -63.19 -49.54 73.84 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.9 1.28 . . . . 0.0 111.81 169.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -67.47 -35.44 79.17 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 118.681 0.673 . . . . 0.0 111.366 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -68.91 -47.12 66.57 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.725 1.148 . . . . 0.0 111.554 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.4 t -61.95 -42.73 95.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 O-C-N 121.176 -0.952 . . . . 0.0 111.151 173.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -59.54 -48.12 82.88 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 119.933 1.242 . . . . 0.0 111.929 174.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -53.15 61.25 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.301 1.441 . . . . 0.0 108.928 -178.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.6 mm -61.11 -47.75 92.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 124.638 1.175 . . . . 0.0 111.712 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 39.1 t -60.39 -41.88 88.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 CA-C-N 118.763 0.71 . . . . 0.0 110.727 175.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.65 -34.89 90.93 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 123.901 0.762 . . . . 0.0 114.21 174.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -75.72 -39.18 57.76 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.003 1.402 . . . . 0.0 112.482 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.1 m -64.48 -35.73 81.9 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.125 -0.984 . . . . 0.0 111.693 172.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -71.0 -24.69 62.44 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 168.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.65 -34.97 58.25 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.431 1.014 . . . . 0.0 112.787 175.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -97.7 -18.41 18.87 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -172.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.5 t -77.9 140.79 39.32 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.645 1.111 . . . . 0.0 113.261 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.3 m -80.08 147.98 31.22 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.074 0.95 . . . . 0.0 110.482 165.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -45.7 -43.94 13.15 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.417 1.487 . . . . 0.0 114.136 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -60.5 -19.68 57.69 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 127.301 2.24 . . . . 0.0 113.801 -177.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -120.16 12.13 11.77 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.499 1.919 . . . . 0.0 113.397 -174.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -49.87 -33.02 15.78 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.053 -1.029 . . . . 0.0 113.006 175.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.0 m -46.72 -34.61 5.31 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.993 2.117 . . . . 0.0 114.4 174.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.1 mm -79.88 -37.44 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 123.922 0.889 . . . . 0.0 110.638 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.5 p -63.81 -46.73 83.83 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.465 -0.772 . . . . 0.0 111.621 174.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.2 p -64.07 -33.09 60.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 118.545 -0.74 . . . . 0.0 112.57 176.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.46 -49.67 74.51 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.758 1.163 . . . . 0.0 111.666 170.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.6 tp -61.13 -34.39 74.9 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.073 0.949 . . . . 0.0 112.348 175.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 75.7 t -70.26 -42.84 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 119.965 1.257 . . . . 0.0 111.671 174.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -59.15 -33.93 71.48 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.492 0.717 . . . . 0.0 111.757 174.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -74.68 -53.93 8.35 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.421 1.088 . . . . 0.0 112.231 172.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.0 mt -61.03 -40.69 94.57 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.13 1.372 . . . . 0.0 113.745 -173.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -65.19 -28.3 69.29 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 118.641 -0.695 . . . . 0.0 111.995 174.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -77.79 -42.2 34.75 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.666 0.787 . . . . 0.0 111.169 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.2 mt -57.43 -47.16 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 168.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -58.36 -53.98 52.13 Favored 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 122.743 0.417 . . . . 0.0 111.541 177.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -51.74 -51.17 58.17 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.265 1.826 . . . . 0.0 112.263 178.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -66.88 -44.65 80.36 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.821 0.448 . . . . 0.0 111.947 -178.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -74.92 -28.87 60.79 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 118.194 -0.908 . . . . 0.0 111.881 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 39.3 mt -62.7 -43.32 99.11 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 120.293 1.406 . . . . 0.0 111.827 168.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -58.01 -38.31 75.92 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 118.603 0.638 . . . . 0.0 110.734 172.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -76.4 -11.75 59.94 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.096 1.359 . . . . 0.0 113.384 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 58.0 mt -93.81 -45.18 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.657 1.583 . . . . 0.0 110.924 175.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -66.42 -34.9 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 121.308 -0.87 . . . . 0.0 111.616 175.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -100.45 14.48 31.05 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 176.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.4 132.74 46.84 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.031 -1.043 . . . . 0.0 111.493 168.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.8 p -92.78 -5.13 51.81 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.14 1.376 . . . . 0.0 114.149 173.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 m -136.99 119.48 15.9 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.791 1.178 . . . . 0.0 113.36 -170.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -57.92 -35.74 71.49 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 121.04 -1.037 . . . . 0.0 112.564 169.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.3 p -65.43 -17.42 64.53 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.545 1.938 . . . . 0.0 115.036 176.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -102.62 -36.7 8.25 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.034 1.333 . . . . 0.0 111.48 172.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.1 mt -53.44 -42.08 66.76 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.812 1.245 . . . . 0.0 112.597 173.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -62.3 -21.97 65.66 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 177.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.6 mm -95.0 -34.08 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 124.914 1.286 . . . . 0.0 112.697 176.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.2 mt -55.09 -30.24 59.29 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.308 0.958 . . . . 0.0 112.383 175.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 38.0 mtm -58.51 -51.68 68.83 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.948 0.899 . . . . 0.0 113.182 168.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 14.4 mmt -70.01 -42.8 72.55 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.756 1.222 . . . . 0.0 110.882 -175.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -56.74 -48.31 78.09 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.372 1.069 . . . . 0.0 111.208 172.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.1 m -62.23 -43.62 98.41 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.823 -0.548 . . . . 0.0 111.338 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -65.44 -39.15 91.72 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.7 1.2 . . . . 0.0 113.358 -178.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.0 t -60.79 -52.5 64.8 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.49 1.116 . . . . 0.0 111.104 169.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -69.29 -29.9 67.87 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -174.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 26.2 t -66.04 -50.43 69.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.356 1.062 . . . . 0.0 111.223 171.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -61.49 -38.68 88.21 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.769 0.713 . . . . 0.0 112.052 176.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -61.98 -48.55 79.84 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 118.912 -0.566 . . . . 0.0 111.752 173.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.63 -40.6 88.16 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.107 0.867 . . . . 0.0 112.08 177.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.24 -52.4 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.246 1.018 . . . . 0.0 111.134 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.0 t -67.01 -40.4 87.28 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 117.991 0.359 . . . . 0.0 111.48 -177.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -52.15 -41.39 62.52 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.448 1.499 . . . . 0.0 112.278 170.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -83.34 -30.24 27.64 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.436 1.272 . . . . 0.0 114.436 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -95.08 0.78 54.69 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -178.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.2 mttm . . . . . 0 N--CA 1.48 1.068 0 C-N-CA 126.982 2.113 . . . . 0.0 113.512 176.899 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.1 mp . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 119.139 -0.458 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -47.52 -47.33 27.85 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 127.411 2.285 . . . . 0.0 112.937 165.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 p -55.41 -37.44 67.63 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.996 1.318 . . . . 0.0 113.087 169.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -72.7 -44.63 61.5 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.356 1.462 . . . . 0.0 113.034 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -73.61 -28.44 61.81 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 118.743 -0.646 . . . . 0.0 111.8 178.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -66.61 -46.19 76.69 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 118.981 0.81 . . . . 0.0 110.779 167.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -55.24 -45.94 76.02 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.59 0.632 . . . . 0.0 111.47 174.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.27 -44.02 97.49 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.626 0.77 . . . . 0.0 112.834 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -69.12 -37.47 78.35 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.874 -1.141 . . . . 0.0 113.128 173.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -63.62 -37.65 88.15 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.437 1.017 . . . . 0.0 111.224 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -61.9 -48.39 80.69 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.062 0.945 . . . . 0.0 112.366 173.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.6 m -75.84 -28.77 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 O-C-N 120.694 -1.254 . . . . 0.0 113.098 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.0 -54.51 46.12 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.751 1.22 . . . . 0.0 110.343 168.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -65.31 -36.28 83.58 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -68.72 -45.68 70.91 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.583 0.629 . . . . 0.0 111.256 -179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.45 -48.4 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 121.285 -0.884 . . . . 0.0 111.107 176.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.41 -28.7 68.13 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.781 1.173 . . . . 0.0 112.99 178.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -63.52 -50.07 71.03 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 118.965 0.802 . . . . 0.0 109.915 169.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.2 mm -69.59 -28.02 36.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 123.299 0.64 . . . . 0.0 111.889 -175.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.3 t -57.83 -50.89 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 CA-C-N 119.528 1.058 . . . . 0.0 110.809 164.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.23 -44.35 97.18 Favored Glycine 0 CA--C 1.535 1.328 0 O-C-N 121.77 -0.581 . . . . 0.0 113.367 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -67.97 -22.37 65.03 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.347 -1.09 . . . . 0.0 113.398 176.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.3 t -74.3 -49.48 22.86 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.577 0.751 . . . . 0.0 110.946 168.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -60.14 -27.79 67.37 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 174.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.71 -33.42 75.83 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 172.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -105.6 -8.93 17.67 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.9 p -87.06 -171.22 3.41 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.475 1.11 . . . . 0.0 111.066 164.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 t -157.58 162.6 38.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.943 1.697 . . . . 0.0 109.435 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -45.98 -38.2 7.44 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.919 0.887 . . . . 0.0 112.733 168.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -66.43 -15.72 63.54 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.935 1.294 . . . . 0.0 114.126 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 71.5 mtt-85 -135.37 26.82 3.46 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 127.111 2.165 . . . . 0.0 111.477 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -52.91 -36.97 60.22 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.036 0.934 . . . . 0.0 112.126 -175.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.22 -34.93 66.76 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 128.438 2.695 . . . . 0.0 112.782 178.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.1 mm -65.08 -47.54 87.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.155 0.982 . . . . 0.0 110.298 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -42.26 98.5 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.606 0.762 . . . . 0.0 111.762 175.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 70.0 t -61.5 -47.26 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-N 119.047 0.84 . . . . 0.0 111.377 175.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.31 -35.64 80.9 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.9 tp -73.03 -35.09 66.69 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.486 -0.759 . . . . 0.0 112.407 174.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 37.7 t -59.0 -38.76 75.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 CA-C-N 119.847 1.203 . . . . 0.0 111.365 173.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -59.08 -41.61 88.45 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 175.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -75.49 -45.92 35.5 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.322 1.049 . . . . 0.0 111.08 175.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.5 mt -50.21 -44.3 53.07 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.712 -1.243 . . . . 0.0 112.326 177.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -81.17 -22.34 39.04 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -61.33 -46.64 89.42 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.618 1.167 . . . . 0.0 110.026 170.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.5 mt -64.74 -43.57 96.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 123.889 0.875 . . . . 0.0 110.113 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -61.38 -46.21 91.13 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.445 -0.784 . . . . 0.0 112.091 175.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -60.15 -45.57 92.61 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.207 1.803 . . . . 0.0 112.393 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -62.47 -52.51 63.22 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.628 1.171 . . . . 0.0 111.838 174.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -74.48 -28.24 60.93 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 118.089 -0.958 . . . . 0.0 112.299 -173.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.6 mt -56.63 -36.51 69.57 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 120.257 1.39 . . . . 0.0 112.41 167.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.95 -36.66 82.72 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.969 0.804 . . . . 0.0 111.146 175.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -67.4 -35.37 79.15 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.132 0.973 . . . . 0.0 111.851 173.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.8 mm -60.3 -52.0 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 119.116 0.871 . . . . 0.0 111.359 172.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -80.97 -21.31 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -171.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -76.3 -22.95 54.38 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 120.879 -1.138 . . . . 0.0 112.832 169.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 t -79.21 145.86 33.38 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 122.294 1.045 . . . . 0.0 113.308 -176.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -131.23 39.63 3.52 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.638 1.575 . . . . 0.0 109.779 162.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.0 m -136.24 105.67 6.08 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 119.956 -1.715 . . . . 0.0 111.666 -175.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.47 -36.43 78.26 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.178 1.391 . . . . 0.0 114.742 -170.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.2 p -64.01 -55.1 24.78 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 119.018 0.826 . . . . 0.0 111.544 174.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.8 mp0 -60.41 -38.37 83.81 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.692 0.678 . . . . 0.0 112.066 178.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.7 mt -56.15 -41.19 75.03 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.645 0.778 . . . . 0.0 112.694 172.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -70.83 -39.04 73.24 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.359 0.527 . . . . 0.0 112.127 176.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.7 mm -69.46 -32.98 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 119.922 1.237 . . . . 0.0 112.008 177.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.5 mt -56.19 -28.04 56.78 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.029 0.832 . . . . 0.0 113.059 175.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 42.6 mtm -60.93 -52.45 64.98 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.373 0.533 . . . . 0.0 110.738 170.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -68.15 -38.31 81.98 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.785 1.234 . . . . 0.0 112.678 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.36 -43.21 99.26 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.612 0.765 . . . . 0.0 111.671 173.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.6 p -65.43 -39.96 92.74 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.68 -0.637 . . . . 0.0 111.675 175.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -59.63 -42.42 92.69 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.462 1.505 . . . . 0.0 112.095 177.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.2 m -55.62 -49.58 72.46 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.568 0.747 . . . . 0.0 111.979 172.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -64.49 -36.92 85.75 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.462 0.574 . . . . 0.0 112.291 176.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.0 t -69.66 -47.16 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.573 0.749 . . . . 0.0 112.207 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -73.43 -30.85 63.49 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.695 -0.628 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.16 -46.49 88.25 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 120.582 -1.324 . . . . 0.0 111.175 164.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.66 -37.36 81.27 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 118.846 0.748 . . . . 0.0 112.143 178.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.1 t -57.18 -60.22 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 119.732 1.151 . . . . 0.0 110.488 171.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.0 t -66.27 -30.86 71.38 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -174.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -62.27 -29.73 70.62 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.588 -1.32 . . . . 0.0 112.45 171.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -100.65 -12.25 19.34 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.776 1.23 . . . . 0.0 114.16 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -70.36 -17.48 63.05 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 120.22 1.373 . . . . 0.0 113.867 171.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.6 mtmp? . . . . . 0 C--O 1.253 1.26 0 CA-C-O 116.835 -1.555 . . . . 0.0 114.741 -164.723 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 N--CA 1.477 0.895 0 CA-C-O 120.891 0.377 . . . . 0.0 111.98 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.472 ' CG ' ' H ' ' A' ' 3' ' ' SER . 9.2 p-10 -98.35 -62.51 1.23 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 127.117 2.167 . . . . 0.0 110.142 175.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.472 ' H ' ' CG ' ' A' ' 2' ' ' ASP . 20.8 m -58.74 -32.98 69.73 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 124.758 1.223 . . . . 0.0 110.688 169.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -61.09 -38.74 87.35 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.963 1.305 . . . . 0.0 113.499 175.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -87.45 -26.73 23.1 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 121.904 -0.497 . . . . 0.0 112.034 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -68.65 -43.4 76.31 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 122.852 0.461 . . . . 0.0 110.735 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -39.78 94.38 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-O 119.028 -0.51 . . . . 0.0 111.832 172.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.88 -44.04 94.25 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 119.174 -0.441 . . . . 0.0 111.502 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.6 ptt85 -66.8 -44.2 81.89 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.662 0.664 . . . . 0.0 110.927 173.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -67.74 -36.16 80.06 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.317 0.962 . . . . 0.0 112.142 -172.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -57.42 -42.59 82.64 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.667 1.187 . . . . 0.0 111.919 172.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.0 m -83.23 -35.15 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 121.48 -0.762 . . . . 0.0 112.978 -178.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -59.68 -49.65 76.93 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.583 1.083 . . . . 0.0 112.248 168.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -69.05 -25.12 64.31 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -178.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.425 ' CD2' ' HG2' ' A' ' 70' ' ' ARG . 16.8 t80 -79.47 -47.02 16.35 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 172.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.6 t -59.34 -44.27 92.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-N 119.897 1.226 . . . . 0.0 111.193 176.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -64.81 -28.81 69.82 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 120.326 1.421 . . . . 0.0 113.169 176.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -74.94 -49.54 19.78 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.839 1.256 . . . . 0.0 109.294 -179.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.8 mm -63.37 -37.95 80.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 124.018 0.927 . . . . 0.0 111.431 175.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.0 t -63.33 -48.83 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 121.161 -0.962 . . . . 0.0 111.692 170.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.62 -38.05 95.77 Favored Glycine 0 CA--C 1.534 1.239 0 CA-C-N 119.72 1.146 . . . . 0.0 113.279 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -69.22 -28.88 66.75 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.391 1.476 . . . . 0.0 112.443 174.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 p -60.53 -34.06 73.57 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 120.78 -1.2 . . . . 0.0 112.267 175.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -69.52 -26.93 64.76 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 172.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.72 -40.11 61.49 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.839 0.856 . . . . 0.0 112.339 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.14 -6.14 59.37 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 176.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.9 m -107.63 160.35 15.76 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -172.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.8 m -97.63 147.73 24.02 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.691 1.996 . . . . 0.0 109.494 165.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -54.43 -41.29 69.21 Favored 'General case' 0 N--CA 1.484 1.266 0 O-C-N 120.669 -1.27 . . . . 0.0 112.343 172.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -68.0 4.11 1.32 Allowed 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.012 1.725 . . . . 0.0 114.62 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -123.76 20.19 9.34 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.331 2.252 . . . . 0.0 112.829 172.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -58.95 -15.95 15.44 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 m -55.37 -31.58 61.89 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.605 -1.309 . . . . 0.0 112.113 168.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.0 mt -74.4 -52.3 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.378 1.071 . . . . 0.0 110.377 175.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.3 p -64.51 -47.03 80.42 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.823 -0.548 . . . . 0.0 111.834 -177.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.1 t -62.14 -35.31 68.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.079 0.952 . . . . 0.0 111.902 178.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.45 -49.57 53.78 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 119.539 1.063 . . . . 0.0 112.126 173.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 67.4 tp -62.37 -36.42 82.24 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.528 0.731 . . . . 0.0 112.039 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.4 t -60.81 -45.49 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.616 1.166 . . . . 0.0 111.659 173.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -66.6 -36.21 82.05 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 177.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -69.34 -48.18 62.17 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 118.743 0.701 . . . . 0.0 111.633 174.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.9 mt -61.98 -33.63 74.66 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 120.852 -1.155 . . . . 0.0 112.509 177.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -63.45 -39.51 94.67 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 118.326 -0.845 . . . . 0.0 112.959 169.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -70.62 -44.24 67.64 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.437 1.017 . . . . 0.0 110.278 -176.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.59 -46.72 95.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 123.447 0.699 . . . . 0.0 110.421 175.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -57.26 -44.86 84.28 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.748 0.819 . . . . 0.0 111.775 174.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -71.35 -44.76 64.42 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.745 1.618 . . . . 0.0 112.725 -174.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -60.19 -49.82 76.12 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.485 -0.759 . . . . 0.0 111.071 171.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -71.79 -31.76 66.92 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 118.414 -0.803 . . . . 0.0 112.229 -175.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.4 mt -52.87 -45.69 67.58 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.825 1.193 . . . . 0.0 111.548 166.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -66.01 -41.11 91.45 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.766 0.712 . . . . 0.0 111.638 178.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -67.44 -20.1 65.45 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.022 0.929 . . . . 0.0 113.366 177.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.5 mt -93.34 -47.92 13.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 126.607 1.963 . . . . 0.0 111.064 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 p -64.19 -38.26 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 O-C-N 121.193 -0.942 . . . . 0.0 111.344 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.49 -4.04 58.11 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 177.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.62 133.55 53.79 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.268 1.027 . . . . 0.0 112.889 -163.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.2 t -104.47 1.32 29.84 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.235 1.414 . . . . 0.0 113.096 -167.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.7 m -138.7 115.23 10.54 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.735 1.614 . . . . 0.0 110.338 -169.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -67.24 -35.6 79.89 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -169.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.9 p -73.99 -35.12 64.41 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.436 -0.79 . . . . 0.0 112.815 173.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.74 -27.99 68.06 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.16 -0.963 . . . . 0.0 112.963 -175.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.8 mt -51.87 -38.76 57.31 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.139 0.976 . . . . 0.0 112.704 170.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -68.63 -43.64 75.91 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 117.792 0.269 . . . . 0.0 110.897 175.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.9 mm -67.35 -34.01 66.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 O-C-N 121.137 -0.977 . . . . 0.0 111.554 -176.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.1 mt -58.35 -29.15 65.73 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.746 -0.645 . . . . 0.0 112.672 172.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.3 mtm -65.7 -43.4 89.28 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.462 1.028 . . . . 0.0 111.29 171.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -75.01 -40.76 60.45 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.377 -0.827 . . . . 0.0 112.293 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -58.29 -53.46 58.09 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.786 0.721 . . . . 0.0 111.404 172.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.9 p -62.64 -36.8 83.98 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 122.361 -0.212 . . . . 0.0 111.506 -179.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.425 ' HG2' ' CD2' ' A' ' 15' ' ' TYR . 30.9 mtp-105 -66.39 -45.23 80.73 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.433 1.093 . . . . 0.0 112.874 176.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 m -57.75 -37.66 74.01 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 118.787 -0.625 . . . . 0.0 112.386 170.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -70.65 -36.62 73.49 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.091 0.957 . . . . 0.0 113.462 174.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.4 t -63.95 -44.1 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 119.347 0.976 . . . . 0.0 110.945 171.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -67.9 -28.77 67.79 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.456 0.702 . . . . 0.0 112.692 176.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -71.48 -40.21 70.39 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.144 1.378 . . . . 0.0 112.482 169.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.31 -42.91 96.55 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.503 -0.748 . . . . 0.0 110.644 171.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.9 t -60.07 -47.55 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.711 169.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.8 t -57.35 -27.25 62.09 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.67 1.188 . . . . 0.0 113.852 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -79.96 -57.29 3.71 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.372 1.469 . . . . 0.0 112.323 171.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -77.81 -11.78 59.92 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -171.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -73.62 -15.73 61.25 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 120.877 -1.139 . . . . 0.0 113.801 172.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.2 mttt . . . . . 0 C--O 1.246 0.879 0 C-N-CA 124.563 1.145 . . . . 0.0 114.019 -167.199 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.484 1.231 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -84.29 -56.27 3.73 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 120.777 1.626 . . . . 0.0 112.846 -164.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 p -67.02 -15.82 63.97 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.181 -1.574 . . . . 0.0 112.691 166.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -76.07 -41.1 51.59 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 169.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 ptp85 -64.06 -28.2 69.62 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.525 -0.734 . . . . 0.0 111.896 166.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -63.66 -38.54 91.49 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.784 0.834 . . . . 0.0 112.152 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -67.72 -43.65 79.51 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.911 -0.493 . . . . 0.0 111.429 171.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.16 -38.14 89.61 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -178.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -67.21 -37.59 83.89 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.322 -0.862 . . . . 0.0 111.977 171.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -65.28 -39.02 92.03 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.993 0.917 . . . . 0.0 112.27 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -57.19 -47.0 82.35 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.721 1.209 . . . . 0.0 112.278 174.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.5 m -80.93 -32.32 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 O-C-N 121.141 -0.974 . . . . 0.0 113.069 -178.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.45 -51.03 69.94 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.741 1.216 . . . . 0.0 111.161 168.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -67.76 -35.73 79.23 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.24 0.473 . . . . 0.0 112.121 -177.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -66.18 -40.69 90.65 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.645 -0.659 . . . . 0.0 111.849 177.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.0 t -62.15 -51.33 73.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 O-C-N 121.183 -0.948 . . . . 0.0 111.885 174.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -64.57 -29.69 70.71 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 120.294 1.406 . . . . 0.0 113.003 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -70.81 -49.14 49.58 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.07 0.948 . . . . 0.0 110.043 178.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.8 mm -66.86 -36.92 78.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 123.902 0.881 . . . . 0.0 111.081 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.78 -49.97 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 118.915 0.779 . . . . 0.0 111.274 168.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.61 -37.91 95.47 Favored Glycine 0 CA--C 1.532 1.142 0 CA-C-N 118.758 0.708 . . . . 0.0 113.832 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -71.73 -26.9 62.67 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.564 1.146 . . . . 0.0 112.888 173.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.5 p -64.14 -35.02 79.41 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.495 1.043 . . . . 0.0 112.806 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -72.28 -33.82 67.73 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.642 -0.661 . . . . 0.0 112.466 169.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.14 -45.43 85.05 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.751 0.705 . . . . 0.0 111.85 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . 0.25 8.8 ptmm? -87.33 17.5 4.38 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 86.5 p -138.09 -162.38 1.3 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.282 1.833 . . . . 0.0 110.778 174.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.3 m -144.47 146.09 32.24 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.314 1.846 . . . . 0.0 108.781 175.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -37.14 -43.87 0.52 Allowed 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 116.204 1.928 . . . . 0.0 116.204 -174.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -30.66 62.37 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.666 1.121 . . . . 0.0 113.044 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -91.63 14.63 14.55 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.39 1.876 . . . . 0.0 114.512 175.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -56.6 -20.4 20.81 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 p -54.5 -38.96 67.09 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.978 1.263 . . . . 0.0 112.123 169.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.8 mt -75.71 -38.69 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 124.189 0.996 . . . . 0.0 110.625 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.2 p -68.7 -44.88 73.02 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.335 -0.853 . . . . 0.0 111.68 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.37 -38.64 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 125.57 1.548 . . . . 0.0 112.096 173.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.49 -44.2 79.09 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.085 -1.009 . . . . 0.0 112.445 173.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.8 tp -64.01 -41.18 97.55 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.751 0.82 . . . . 0.0 112.067 175.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.0 t -54.49 -41.49 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 126.03 1.732 . . . . 0.0 111.452 173.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -64.71 -37.86 89.02 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -71.55 -43.73 65.87 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.196 0.907 . . . . 0.0 111.582 173.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.14 -33.13 74.79 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 120.758 -1.214 . . . . 0.0 112.084 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -65.55 -39.34 91.59 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.599 0.76 . . . . 0.0 112.919 166.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -64.52 -43.5 93.86 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.408 0.549 . . . . 0.0 109.776 -178.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.3 mt -68.79 -46.54 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.682 175.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -55.43 -50.09 70.71 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 120.401 1.455 . . . . 0.0 111.695 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -69.97 -47.71 61.18 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 123.689 0.796 . . . . 0.0 111.707 -176.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.57 -39.52 80.52 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.795 176.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -81.8 -32.32 31.35 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 118.017 -0.992 . . . . 0.0 112.597 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.3 mt -54.23 -47.59 72.03 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 120.401 1.455 . . . . 0.0 110.866 168.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -58.19 -48.57 79.91 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.118 0.567 . . . . 0.0 111.655 172.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -64.86 -28.44 69.55 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.922 -1.111 . . . . 0.0 113.14 -177.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.9 mt -84.23 -45.52 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 126.635 1.974 . . . . 0.0 110.99 -178.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 p -66.16 -33.58 64.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 119.02 0.827 . . . . 0.0 112.064 177.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -82.88 -12.66 57.21 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.5 t -69.81 138.2 52.46 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.328 1.451 . . . . 0.0 113.027 -170.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.7 p -108.57 -32.33 7.42 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.9 m -87.2 114.34 23.72 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.878 1.217 . . . . 0.0 111.707 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -64.96 -36.79 85.53 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -178.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 m -72.27 0.86 8.81 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.13 -0.981 . . . . 0.0 113.628 172.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -104.61 -32.58 8.86 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.515 1.126 . . . . 0.0 112.744 164.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.6 mt -50.3 -42.36 52.45 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.582 1.083 . . . . 0.0 112.116 172.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -65.91 -28.62 69.07 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 176.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.7 mm -82.09 -31.87 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 O-C-N 121.037 -1.039 . . . . 0.0 112.467 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.88 -29.9 30.9 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.085 0.857 . . . . 0.0 111.93 171.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 41.7 mtm -61.34 -54.13 47.75 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.876 0.87 . . . . 0.0 112.52 172.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 37.9 mtm -71.78 -32.06 67.27 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.132 0.973 . . . . 0.0 112.523 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -67.07 -42.78 84.13 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.429 -0.794 . . . . 0.0 112.052 172.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.1 t -62.37 -43.71 98.18 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 118.911 -0.566 . . . . 0.0 110.922 171.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -55.39 -50.29 70.11 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-O 117.82 -1.086 . . . . 0.0 111.265 172.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 t -54.6 -41.27 69.72 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.413 1.085 . . . . 0.0 112.405 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -77.95 -31.07 50.71 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.9 t -71.96 -39.97 67.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 119.959 1.254 . . . . 0.0 110.995 172.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -67.71 -35.57 79.03 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.291 1.836 . . . . 0.0 111.15 176.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -62.3 -47.15 85.58 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 121.119 -0.988 . . . . 0.0 111.922 162.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.99 -40.78 85.9 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.833 1.197 . . . . 0.0 111.767 -178.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.4 t -56.94 -60.19 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-N 118.588 0.631 . . . . 0.0 110.22 167.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.4 m -55.39 -32.79 62.93 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.489 1.115 . . . . 0.0 113.353 -174.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -75.74 -42.99 49.08 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 129.544 3.138 . . . . 0.0 113.121 175.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -86.33 -13.18 47.32 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -178.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -72.57 -8.12 53.58 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.643 1.177 . . . . 0.0 113.992 170.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm . . . . . 0 C--O 1.251 1.15 0 C-N-CA 127.341 2.256 . . . . 0.0 113.769 -173.316 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -86.25 -25.04 25.76 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.323 1.849 . . . . 0.0 114.015 -174.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -86.09 -39.41 16.78 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.397 0.679 . . . . 0.0 110.439 166.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.56 -42.82 83.79 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.368 1.067 . . . . 0.0 113.224 176.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.7 ptt85 -68.1 -28.7 67.56 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 174.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.2 -45.27 49.43 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.144 0.429 . . . . 0.0 110.888 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -51.89 -47.4 64.57 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.916 0.886 . . . . 0.0 111.196 169.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.61 -43.35 89.91 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.627 1.171 . . . . 0.0 113.654 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -68.52 -37.28 79.9 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.523 1.056 . . . . 0.0 112.186 175.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -66.93 -37.43 84.3 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 118.096 -0.954 . . . . 0.0 112.311 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -52.58 -47.3 66.94 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 118.978 0.808 . . . . 0.0 112.125 170.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 m -80.1 -22.21 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -64.49 -44.5 90.79 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.827 1.194 . . . . 0.0 111.156 166.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -61.05 -43.82 98.31 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.567 0.747 . . . . 0.0 112.007 171.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -61.18 -47.49 85.93 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.443 0.565 . . . . 0.0 111.643 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.17 -50.34 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 O-C-N 121.021 -1.049 . . . . 0.0 111.762 176.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -66.59 -35.98 81.5 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 120.561 1.528 . . . . 0.0 112.4 -178.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.7 tttp -63.08 -45.64 91.15 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.498 1.119 . . . . 0.0 110.874 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.5 mm -74.43 -28.14 22.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 124.464 1.105 . . . . 0.0 112.162 -177.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.4 t -61.38 -38.79 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 O-C-N 120.942 -1.099 . . . . 0.0 110.488 163.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.62 -54.71 35.1 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.429 1.014 . . . . 0.0 113.377 167.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -57.08 -36.63 70.81 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 118.253 1.026 . . . . 0.0 112.728 176.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.7 m -65.08 -43.42 92.22 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.827 0.851 . . . . 0.0 111.553 178.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -78.1 -13.03 60.02 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 173.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.27 -36.76 46.39 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.151 0.887 . . . . 0.0 112.625 168.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -103.83 -0.88 28.64 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 -173.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.9 m -92.86 172.09 8.56 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.698 1.199 . . . . 0.0 113.736 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.0 m -138.06 148.48 45.1 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.643 1.577 . . . . 0.0 109.479 -176.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -27.53 18.5 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 116.166 1.914 . . . . 0.0 116.166 -168.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -65.25 -37.13 86.28 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.424 1.09 . . . . 0.0 112.42 174.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -74.97 36.73 0.11 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.954 2.102 . . . . 0.0 112.87 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -63.54 -42.55 98.39 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.816 -1.177 . . . . 0.0 111.994 -178.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.0 m -63.89 -37.8 88.73 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.196 0.598 . . . . 0.0 112.01 173.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.3 mm -69.85 -41.13 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 121.506 -0.746 . . . . 0.0 111.132 178.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -67.28 -42.12 84.35 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 117.742 -1.123 . . . . 0.0 112.076 178.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.4 p -63.52 -50.06 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 120.135 1.334 . . . . 0.0 110.827 169.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.46 -48.56 81.17 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.253 0.933 . . . . 0.0 112.267 -174.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.7 tp -66.21 -40.5 90.4 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.645 0.778 . . . . 0.0 112.167 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.5 t -66.57 -40.29 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 119.855 1.207 . . . . 0.0 111.594 177.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -41.45 97.98 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.626 0.77 . . . . 0.0 111.368 172.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -65.78 -45.67 81.61 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.129 0.972 . . . . 0.0 111.042 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.8 mt -54.69 -36.36 64.59 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.433 1.093 . . . . 0.0 112.019 172.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -76.4 -28.33 56.65 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 172.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -75.67 -42.54 50.94 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.73 1.15 . . . . 0.0 110.057 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.8 mt -56.95 -42.02 78.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 124.724 1.21 . . . . 0.0 109.753 166.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -61.26 -43.36 99.01 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 118.423 -0.799 . . . . 0.0 112.128 175.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -62.14 -49.33 76.3 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.749 1.159 . . . . 0.0 111.774 175.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -55.04 -49.01 72.65 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.131 0.972 . . . . 0.0 111.2 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.53 ' CZ ' ' HE2' ' A' ' 52' ' ' LYS . 30.7 m-85 -78.76 -31.41 46.15 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 117.737 -1.125 . . . . 0.0 112.703 -177.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.5 mt -55.98 -44.51 78.64 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.715 1.598 . . . . 0.0 111.331 165.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -63.1 -43.19 99.18 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.411 1.085 . . . . 0.0 111.814 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.53 ' HE2' ' CZ ' ' A' ' 49' ' ' TYR . 20.0 mtpp -67.77 -34.59 77.11 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.088 -1.008 . . . . 0.0 112.387 176.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.0 mt -79.99 -36.87 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 125.809 1.644 . . . . 0.0 111.847 -177.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 p -77.01 -25.68 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 119.575 1.079 . . . . 0.0 112.988 176.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -94.08 1.72 56.12 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.264 1.026 . . . . 0.0 113.236 174.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.3 m -62.99 128.6 36.63 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 120.614 -1.304 . . . . 0.0 112.725 -174.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.8 t -89.95 -32.47 16.8 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.6 m -119.43 127.99 53.61 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.37 1.068 . . . . 0.0 112.758 -169.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -61.43 -42.9 99.48 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.644 0.777 . . . . 0.0 113.01 -175.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 m -70.81 -6.3 36.82 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -177.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -99.42 -23.79 15.01 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.845 0.858 . . . . 0.0 112.482 170.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.1 mt -58.23 -41.2 83.61 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.948 1.249 . . . . 0.0 111.613 172.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -62.51 -33.26 74.54 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 175.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.0 mm -80.54 -32.61 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 O-C-N 120.95 -1.094 . . . . 0.0 112.464 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.6 mt -55.96 -24.9 41.12 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.1 0.863 . . . . 0.0 112.788 174.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 55.1 mtm -62.0 -50.43 72.09 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.765 0.826 . . . . 0.0 112.885 168.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 47.0 mtm -76.58 -30.23 56.91 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.888 1.275 . . . . 0.0 112.667 -177.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -59.24 -51.92 67.88 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.519 1.128 . . . . 0.0 112.177 164.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.5 m -58.22 -44.04 88.02 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 120.984 0.421 . . . . 0.0 110.239 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -59.14 -41.31 88.01 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.724 1.21 . . . . 0.0 112.406 175.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.4 m -63.26 -43.09 98.95 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.126 0.971 . . . . 0.0 112.499 176.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -67.76 -37.06 81.61 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 119.214 0.916 . . . . 0.0 112.603 173.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.0 t -65.18 -47.6 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.445 0.698 . . . . 0.0 111.22 175.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -56.24 -45.66 79.88 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.624 1.17 . . . . 0.0 111.416 174.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.69 -47.82 81.99 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 176.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.61 78.07 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.887 0.767 . . . . 0.0 111.649 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 99.5 t -63.01 -51.5 71.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 123.295 0.638 . . . . 0.0 110.609 178.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.08 -20.05 59.68 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -171.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -75.44 -33.41 60.9 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.197 0.999 . . . . 0.0 113.542 165.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -89.44 -18.68 26.29 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -87.47 -2.79 58.86 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.463 1.282 . . . . 0.0 114.463 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 116.045 1.869 . . . . 0.0 116.045 -168.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.0 tt . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 119.021 -0.514 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -62.48 -31.57 72.33 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.962 1.255 . . . . 0.0 111.932 168.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 p -57.98 -30.63 66.2 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.304 -0.872 . . . . 0.0 112.914 168.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -79.49 -41.62 27.04 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 125.434 1.493 . . . . 0.0 111.851 177.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -67.27 -29.1 68.63 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 118.94 -0.552 . . . . 0.0 112.362 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -69.54 -50.86 40.91 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 118.657 0.662 . . . . 0.0 111.415 175.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.3 ptmm? -61.27 -36.99 81.55 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.159 -0.963 . . . . 0.0 111.536 173.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.62 92.09 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.214 0.915 . . . . 0.0 113.461 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -66.58 -42.81 86.4 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 119.653 1.115 . . . . 0.0 110.86 174.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -65.83 -36.75 84.37 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -59.43 -38.76 81.49 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.257 1.823 . . . . 0.0 112.578 174.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.6 m -84.76 -30.05 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 O-C-N 121.735 -0.603 . . . . 0.0 112.538 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -58.69 -51.73 68.69 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.182 0.901 . . . . 0.0 112.159 171.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -61.34 -31.45 71.32 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 118.49 0.586 . . . . 0.0 111.858 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -75.61 -48.53 21.83 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.282 0.633 . . . . 0.0 111.299 -177.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.2 t -54.3 -49.51 63.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.105 0.962 . . . . 0.0 110.435 167.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -65.36 -33.98 77.24 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.859 0.864 . . . . 0.0 113.243 -176.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -64.83 -50.08 68.07 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.5 1.12 . . . . 0.0 109.836 172.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.0 mt -72.47 -31.85 39.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 C-N-CA 124.169 0.988 . . . . 0.0 112.513 -174.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.7 t -59.88 -49.94 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 O-C-N 121.085 -1.01 . . . . 0.0 110.946 168.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.22 -37.56 93.05 Favored Glycine 0 CA--C 1.534 1.243 0 CA-C-O 119.617 -0.546 . . . . 0.0 113.533 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -68.06 -32.07 72.16 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.032 1.416 . . . . 0.0 112.474 172.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.3 m -65.13 -38.73 91.56 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.366 -0.834 . . . . 0.0 111.68 173.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -64.78 -41.95 95.47 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.538 -0.726 . . . . 0.0 112.006 169.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.63 -34.24 77.82 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.02 15.08 21.62 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 173.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 t -76.56 162.24 27.94 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.419 1.088 . . . . 0.0 112.442 174.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.38 176.13 9.59 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.59 1.556 . . . . 0.0 109.804 172.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -67.1 -36.4 81.85 Favored 'General case' 0 N--CA 1.483 1.191 0 O-C-N 120.273 -1.517 . . . . 0.0 111.635 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -72.57 -46.05 56.25 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.346 1.858 . . . . 0.0 112.44 171.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -75.56 -11.01 59.94 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -173.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -47.69 -40.88 21.24 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.457 1.903 . . . . 0.0 114.764 -174.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.7 m -57.01 -40.2 76.17 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.243 1.017 . . . . 0.0 112.46 177.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.1 mt -68.96 -46.14 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 C-N-CA 123.771 0.828 . . . . 0.0 109.455 176.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.9 m -55.92 -47.89 76.68 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.049 0.939 . . . . 0.0 111.816 -177.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.2 t -69.47 -41.13 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 121.61 -0.681 . . . . 0.0 111.28 179.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.69 -36.3 83.41 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 118.826 0.739 . . . . 0.0 112.862 177.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.0 tp -69.56 -45.17 69.35 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.322 1.449 . . . . 0.0 111.602 174.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.4 t -62.84 -39.74 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 CA-C-N 120.341 1.428 . . . . 0.0 112.145 175.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -57.88 -39.92 78.97 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.007 0.523 . . . . 0.0 111.407 172.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -73.55 -51.38 17.16 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 118.755 0.707 . . . . 0.0 112.469 177.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 64.4 mt -51.81 -50.07 61.51 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.521 1.528 . . . . 0.0 112.139 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -72.63 -27.12 61.95 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.482 -0.761 . . . . 0.0 112.658 179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -65.84 -40.08 91.4 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 118.332 -0.842 . . . . 0.0 111.95 171.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.7 mt -61.67 -39.93 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 119.88 1.218 . . . . 0.0 109.69 172.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -56.76 -50.12 73.21 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 118.915 -0.564 . . . . 0.0 111.736 174.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -61.53 -47.37 85.9 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.409 1.083 . . . . 0.0 112.268 179.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -64.34 -47.53 79.02 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.482 0.713 . . . . 0.0 111.54 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -73.05 -28.8 62.54 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 118.162 -0.923 . . . . 0.0 111.97 178.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.3 mt -55.42 -42.36 74.03 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 120.522 1.51 . . . . 0.0 111.447 165.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.98 -39.76 83.23 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.684 0.675 . . . . 0.0 111.629 175.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -63.33 -38.99 93.3 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.434 1.015 . . . . 0.0 111.43 176.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.9 mt -77.89 -39.44 25.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 125.529 1.531 . . . . 0.0 111.855 -174.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.5 -38.22 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 O-C-N 120.53 -1.356 . . . . 0.0 112.327 175.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -86.21 6.04 31.39 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.401 1.881 . . . . 0.0 113.158 -177.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.1 m -83.84 117.21 23.15 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 120.356 -1.465 . . . . 0.0 112.09 178.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.5 t -85.8 8.6 19.38 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.3 m -141.66 112.91 7.5 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.861 1.264 . . . . 0.0 112.431 -164.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -71.35 -26.64 62.9 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -177.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.9 p -71.73 -21.01 61.82 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.922 1.289 . . . . 0.0 114.17 169.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -86.28 -44.34 12.21 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.866 0.866 . . . . 0.0 110.236 171.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.7 mt -49.54 -40.43 38.16 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.925 1.69 . . . . 0.0 113.631 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -62.97 -30.32 71.49 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 177.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.1 mm -77.8 -36.52 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 O-C-N 120.931 -1.105 . . . . 0.0 111.978 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.55 -27.97 52.09 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 118.665 0.666 . . . . 0.0 111.848 174.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 28.8 mtm -60.33 -55.04 38.45 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.828 0.851 . . . . 0.0 112.086 172.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 45.5 mtm -73.03 -33.47 65.75 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.777 1.231 . . . . 0.0 112.349 -175.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -62.84 -52.67 62.22 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.509 0.595 . . . . 0.0 112.169 170.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.3 t -61.48 -44.14 97.62 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.634 -0.426 . . . . 0.0 109.876 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -57.67 -44.55 85.81 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.17 0.988 . . . . 0.0 112.485 177.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.1 m -61.87 -44.81 96.05 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.352 0.661 . . . . 0.0 112.084 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -72.95 -31.92 64.9 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.404 0.891 . . . . 0.0 113.404 -177.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.3 t -66.66 -40.41 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.664 1.186 . . . . 0.0 110.579 173.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -72.94 -35.93 67.08 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.826 0.85 . . . . 0.0 112.506 175.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -64.94 -39.1 92.98 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.936 -1.102 . . . . 0.0 112.274 173.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.68 -40.73 93.22 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.727 0.811 . . . . 0.0 111.793 174.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.94 -51.52 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-O 118.992 -0.528 . . . . 0.0 110.298 170.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.11 -17.67 64.43 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -175.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -75.52 -55.78 5.34 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.887 1.275 . . . . 0.0 111.962 165.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -72.58 -30.61 64.54 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -174.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.67 -5.3 52.67 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -175.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt . . . . . 0 C--O 1.253 1.259 0 C-N-CA 127.408 2.283 . . . . 0.0 114.571 -164.961 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 10.7 mp . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -19.82 -61.13 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 130.147 3.379 . . . . 0.0 114.951 149.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 p -46.09 -51.45 13.85 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.44 1.896 . . . . 0.0 113.103 170.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -66.33 -38.34 87.42 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.327 1.451 . . . . 0.0 112.732 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -76.58 -12.27 59.99 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 175.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -79.48 -48.31 14.13 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.936 0.894 . . . . 0.0 110.977 169.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -62.81 -40.52 97.62 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.104 0.866 . . . . 0.0 111.135 173.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.22 -44.62 96.17 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.624 0.77 . . . . 0.0 112.855 -175.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -66.81 -31.2 71.67 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.758 -0.589 . . . . 0.0 111.598 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -44.37 71.61 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.801 1.241 . . . . 0.0 111.41 171.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -57.78 -47.65 81.92 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.163 0.985 . . . . 0.0 111.622 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 m -77.64 -27.45 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 121.234 -0.916 . . . . 0.0 113.464 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.16 -55.71 28.14 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.129 0.877 . . . . 0.0 110.993 164.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -69.66 -35.76 75.44 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-O 118.775 -0.631 . . . . 0.0 112.009 -175.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -64.34 -42.21 96.37 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.407 1.003 . . . . 0.0 112.047 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.3 t -62.26 -48.53 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 O-C-N 121.161 -0.962 . . . . 0.0 111.541 174.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -70.61 -32.33 69.64 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 120.144 1.338 . . . . 0.0 113.066 -178.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -62.51 -44.57 96.04 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.727 1.611 . . . . 0.0 111.143 175.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.9 mm -80.49 -32.98 13.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.793 1.237 . . . . 0.0 111.317 -176.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.7 t -56.21 -48.7 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-O 118.465 -0.778 . . . . 0.0 109.908 162.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.63 -47.62 83.32 Favored Glycine 0 CA--C 1.535 1.292 0 CA-C-N 119.461 1.028 . . . . 0.0 113.332 175.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -58.09 -37.43 74.5 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.901 -0.764 . . . . 0.0 112.436 173.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.0 p -65.09 -31.87 73.29 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.857 1.208 . . . . 0.0 113.18 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -80.21 -27.31 38.85 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.97 0.908 . . . . 0.0 111.866 173.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.46 -37.61 65.73 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.431 0.692 . . . . 0.0 112.797 172.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -77.81 -31.25 51.62 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.969 0.908 . . . . 0.0 112.807 175.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.7 m -77.09 174.97 10.07 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.481 0.713 . . . . 0.0 112.077 173.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.6 p -118.09 168.38 10.6 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 155.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -45.45 -37.87 5.6 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.096 1.359 . . . . 0.0 112.941 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -56.93 -29.33 63.02 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.589 1.155 . . . . 0.0 113.276 -177.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -100.32 25.64 7.4 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.746 1.219 . . . . 0.0 114.027 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -51.37 -30.13 17.81 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 121.351 -0.843 . . . . 0.0 113.181 170.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -14.71 63.17 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.963 1.705 . . . . 0.0 113.541 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.8 mm -102.44 -43.16 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.781 1.232 . . . . 0.0 110.985 174.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.2 p -60.73 -41.28 95.03 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.756 0.707 . . . . 0.0 111.982 177.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.0 p -56.98 -35.81 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 119.221 0.919 . . . . 0.0 113.158 176.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.3 -46.97 46.52 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.487 -0.758 . . . . 0.0 111.487 176.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.4 tp -64.14 -33.19 75.21 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.204 0.602 . . . . 0.0 112.199 176.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.8 t -60.92 -48.73 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.814 1.246 . . . . 0.0 111.108 171.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -70.43 -26.0 63.46 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -76.49 -47.72 21.94 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.667 1.121 . . . . 0.0 112.501 169.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 76.3 mt -61.63 -36.03 79.61 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 120.409 -1.432 . . . . 0.0 111.911 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -66.84 -33.8 76.39 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.374 -0.829 . . . . 0.0 112.572 170.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -65.4 -45.09 85.36 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 120.064 1.302 . . . . 0.0 111.042 174.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.5 mt -60.06 -36.0 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.132 0.573 . . . . 0.0 111.246 172.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -57.52 -55.91 28.73 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.25 -0.907 . . . . 0.0 111.58 173.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -64.24 -39.07 93.2 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.612 0.642 . . . . 0.0 111.467 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -53.98 -47.16 71.7 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.466 1.107 . . . . 0.0 111.169 172.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -82.73 -34.2 27.27 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.3 mt -57.49 -43.69 84.35 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.61 1.095 . . . . 0.0 110.756 171.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -64.42 -37.45 87.55 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.159 0.983 . . . . 0.0 112.596 173.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -65.92 -36.64 83.93 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 120.793 -1.192 . . . . 0.0 112.111 173.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 57.5 mt -72.26 -34.61 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.199 1.399 . . . . 0.0 112.228 -174.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -70.03 -27.85 34.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 O-C-N 121.084 -1.01 . . . . 0.0 112.954 170.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -91.31 -23.94 19.97 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -177.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.9 t -59.55 135.26 57.61 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.8 1.24 . . . . 0.0 113.16 -169.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.4 t -82.66 -19.21 38.64 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -163.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.2 m -145.92 143.4 29.52 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.108 1.363 . . . . 0.0 111.703 -173.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.433 ' CD ' ' H ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -49.35 -43.46 43.85 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.709 1.204 . . . . 0.0 113.336 164.776 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 99.4 p -71.42 -7.25 46.08 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -97.79 -42.52 7.55 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.659 1.184 . . . . 0.0 110.854 166.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.6 mt -54.5 -42.73 71.13 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.449 1.5 . . . . 0.0 113.579 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -61.18 -30.45 70.42 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 175.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.1 mm -82.45 -31.96 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 O-C-N 121.067 -1.02 . . . . 0.0 111.769 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -53.41 -33.9 55.68 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.424 1.011 . . . . 0.0 111.45 169.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 21.1 mtm -61.68 -48.57 80.19 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.452 0.569 . . . . 0.0 111.466 173.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.1 mmt -70.81 -35.01 72.32 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.389 1.076 . . . . 0.0 112.385 -176.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -77.32 -32.22 55.11 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.225 -0.922 . . . . 0.0 112.874 177.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.5 p -58.29 -45.9 87.07 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.652 -0.655 . . . . 0.0 111.057 163.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -60.48 -43.83 96.57 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.982 1.313 . . . . 0.0 111.013 177.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.8 t -57.08 -47.52 80.82 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.35 1.86 . . . . 0.0 113.174 172.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -77.15 -24.0 51.59 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 120.584 -1.323 . . . . 0.0 113.82 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.2 t -66.84 -43.15 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 123.816 0.846 . . . . 0.0 110.681 167.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -64.93 -37.18 86.79 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.615 0.643 . . . . 0.0 112.325 174.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -59.35 -43.73 92.76 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.387 -0.821 . . . . 0.0 111.825 169.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.15 80.96 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.571 -0.706 . . . . 0.0 112.478 177.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.0 t -59.62 -52.08 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.448 -0.783 . . . . 0.0 110.285 174.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.4 t -64.45 -32.2 73.73 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.192 0.451 . . . . 0.0 112.017 -177.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -64.15 -49.12 73.39 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.156 0.982 . . . . 0.0 112.915 170.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -87.8 -21.28 25.18 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -171.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.55 -21.29 55.87 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.632 1.105 . . . . 0.0 113.234 174.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 50.9 mttm . . . . . 0 C--O 1.251 1.179 0 CA-C-O 116.447 -1.74 . . . . 0.0 114.329 179.222 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.07 -44.13 55.26 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.243 1.417 . . . . 0.0 112.685 -172.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.2 p -69.88 -26.2 64.06 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.702 0.401 . . . . 0.0 111.234 169.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.87 -43.43 71.85 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 174.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -66.31 -29.44 69.65 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 122.106 -0.371 . . . . 0.0 110.897 171.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.59 -45.81 81.8 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.127 1.371 . . . . 0.0 112.701 172.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.0 mttm -64.9 -46.68 80.69 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.71 0.804 . . . . 0.0 110.73 173.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.03 -46.37 89.46 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.999 0.919 . . . . 0.0 111.996 -176.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -44.17 97.08 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.936 0.789 . . . . 0.0 111.605 173.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.3 tptt -68.93 -38.24 79.39 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -172.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -58.52 -46.54 86.53 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.254 1.422 . . . . 0.0 111.799 174.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.4 m -78.33 -31.93 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 121.687 -0.633 . . . . 0.0 112.443 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -63.44 -43.39 97.55 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 118.55 -0.738 . . . . 0.0 111.825 169.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.12 -28.69 61.46 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.718 1.145 . . . . 0.0 112.79 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -67.05 -44.65 79.64 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.161 0.891 . . . . 0.0 111.46 173.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.2 t -62.38 -46.36 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 O-C-N 120.927 -1.108 . . . . 0.0 110.759 170.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -56.23 -45.16 80.07 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.451 1.023 . . . . 0.0 112.306 177.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -59.45 -60.05 4.47 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 124.2 1.0 . . . . 0.0 108.715 175.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.33 12.2 mt -73.52 -24.01 19.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 118.711 0.687 . . . . 0.0 112.824 -166.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.7 t -61.49 -49.64 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 O-C-N 120.667 -1.271 . . . . 0.0 111.651 163.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.16 -36.2 91.51 Favored Glycine 0 CA--C 1.534 1.242 0 O-C-N 121.545 -0.722 . . . . 0.0 113.464 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.9 -37.41 78.97 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.938 1.295 . . . . 0.0 111.838 175.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.0 t -59.96 -43.91 94.77 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 118.923 -0.561 . . . . 0.0 110.802 175.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -65.38 -38.83 91.18 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.551 1.069 . . . . 0.0 112.622 172.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.26 -9.97 20.79 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 174.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -129.65 27.9 5.2 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.458 1.503 . . . . 0.0 114.58 173.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.3 133.12 32.65 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 178.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.1 p -97.43 169.93 9.41 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.765 1.626 . . . . 0.0 112.197 -175.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -57.51 -36.11 71.13 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 120.6 -1.313 . . . . 0.0 113.74 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -6.87 43.36 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.076 1.35 . . . . 0.0 113.353 174.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -110.15 -4.27 15.88 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.089 1.755 . . . . 0.0 114.134 175.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -45.75 -40.07 9.01 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.641 1.576 . . . . 0.0 114.459 -174.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -34.43 77.72 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.005 1.322 . . . . 0.0 113.309 178.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.9 mt -77.64 -38.87 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.592 1.157 . . . . 0.0 109.535 173.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.2 -48.07 83.27 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.581 0.752 . . . . 0.0 111.374 177.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.5 p -62.54 -44.32 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 CA-C-O 118.297 -0.859 . . . . 0.0 111.211 175.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.83 94.74 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.176 0.898 . . . . 0.0 111.704 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.7 tp -63.47 -43.91 95.97 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.629 0.65 . . . . 0.0 112.336 175.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.19 -41.12 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 O-C-N 121.154 -0.966 . . . . 0.0 111.885 178.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -38.53 91.4 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.33 1.052 . . . . 0.0 111.954 175.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -63.23 -48.56 77.74 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.108 0.563 . . . . 0.0 110.349 172.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.9 mt -61.22 -37.91 84.72 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.081 -1.012 . . . . 0.0 112.993 178.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -64.26 -35.98 82.58 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 118.756 -0.64 . . . . 0.0 111.57 172.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -68.23 -44.08 76.51 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.648 1.113 . . . . 0.0 109.493 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.3 mt -56.87 -45.73 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 123.999 0.92 . . . . 0.0 111.182 171.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -59.31 -52.3 66.25 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.39 0.541 . . . . 0.0 111.157 177.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -60.38 -46.35 90.28 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.494 0.717 . . . . 0.0 111.252 -178.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -59.97 -52.02 67.18 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.189 0.596 . . . . 0.0 112.263 178.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.407 ' CD2' ' HB3' ' A' ' 69' ' ' SER . 25.8 m-85 -73.32 -28.87 62.31 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 118.071 -0.966 . . . . 0.0 111.436 -175.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 64.7 mt -59.33 -39.35 82.86 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.14 1.336 . . . . 0.0 112.218 165.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -27.71 69.43 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.533 -0.729 . . . . 0.0 112.016 173.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -80.23 -29.44 38.46 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.212 1.405 . . . . 0.0 112.63 171.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.7 mm -62.53 -50.95 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 119.483 1.038 . . . . 0.0 111.154 172.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.5 p -69.69 -40.28 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.847 -0.533 . . . . 0.0 111.94 -174.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -81.88 8.56 10.01 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 176.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.556 ' HG ' ' HG ' ' A' ' 62' ' ' LEU . 24.0 t -73.48 130.04 39.25 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 119.678 -1.889 . . . . 0.0 111.789 171.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.2 p -95.32 -5.1 44.27 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.422 1.489 . . . . 0.0 112.887 165.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.6 t -127.44 123.07 35.18 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.896 1.678 . . . . 0.0 111.386 -165.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -28.12 57.78 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.536 -0.728 . . . . 0.0 112.464 175.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 p -65.03 -47.03 78.85 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.845 0.858 . . . . 0.0 111.172 169.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -59.48 -42.08 91.26 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.995 1.27 . . . . 0.0 112.223 173.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.556 ' HG ' ' HG ' ' A' ' 56' ' ' SER . 18.2 mt -57.22 -36.52 70.98 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -177.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -71.74 -39.05 70.33 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 118.972 -0.537 . . . . 0.0 111.948 176.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.1 mm -69.71 -34.73 62.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 119.852 1.205 . . . . 0.0 111.656 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.4 mt -57.0 -26.64 60.58 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.4 -0.813 . . . . 0.0 112.824 174.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 37.5 mtm -63.65 -48.5 76.97 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.318 0.963 . . . . 0.0 111.511 171.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -70.48 -38.87 74.47 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.549 0.74 . . . . 0.0 111.717 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -68.9 -42.29 77.07 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.561 -0.712 . . . . 0.0 112.868 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.407 ' HB3' ' CD2' ' A' ' 49' ' ' TYR . 72.8 p -67.68 -40.11 84.44 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 118.667 -0.682 . . . . 0.0 112.523 172.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -57.55 -47.44 82.03 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.199 0.999 . . . . 0.0 111.083 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.3 t -57.58 -42.82 83.86 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 124.221 1.008 . . . . 0.0 111.523 175.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -68.35 -41.77 80.2 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.653 1.181 . . . . 0.0 113.973 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.74 -49.31 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 118.975 0.807 . . . . 0.0 109.619 173.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -75.34 -11.94 60.16 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.511 0.724 . . . . 0.0 112.65 -178.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -73.78 -53.75 9.59 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.423 1.489 . . . . 0.0 110.138 167.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.87 92.01 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.111 0.565 . . . . 0.0 110.652 177.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.5 t -68.28 -48.02 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-O 118.139 -0.934 . . . . 0.0 111.308 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.6 t -65.05 -24.66 67.53 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.889 1.222 . . . . 0.0 112.867 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -79.6 -42.8 24.17 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.802 1.241 . . . . 0.0 113.271 172.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -78.91 -34.82 44.35 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.641 0.776 . . . . 0.0 112.863 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -76.55 -1.01 25.31 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -175.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp . . . . . 0 C--O 1.247 0.964 0 C-N-CA 127.405 2.282 . . . . 0.0 111.925 -169.14 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 92.6 mt . . . . . 0 N--CA 1.483 1.192 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -50.19 -43.01 52.28 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 127.566 2.346 . . . . 0.0 114.538 -175.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.71 -39.68 76.74 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.101 1.361 . . . . 0.0 111.264 177.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.415 ' OE2' ' HE3' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -65.28 -47.83 75.31 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.172 1.389 . . . . 0.0 110.619 -179.644 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.2 ptt85 -63.86 -26.81 68.78 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.948 -1.095 . . . . 0.0 112.88 175.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.89 -41.16 78.65 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.995 1.318 . . . . 0.0 111.942 175.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.415 ' HE3' ' OE2' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -76.22 -36.58 58.51 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.123 -0.986 . . . . 0.0 112.746 171.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.24 -45.96 89.15 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.426 1.09 . . . . 0.0 112.284 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -61.47 -42.2 98.42 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.619 0.645 . . . . 0.0 111.465 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -66.23 -39.93 89.91 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 118.908 -0.568 . . . . 0.0 111.554 -176.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 -60.45 -45.56 93.25 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 175.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.4 m -71.91 -32.58 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -62.03 -47.12 86.15 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.791 1.178 . . . . 0.0 111.824 168.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -56.87 -45.35 82.56 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.471 1.032 . . . . 0.0 112.366 172.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -60.74 -46.85 88.86 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.956 0.798 . . . . 0.0 111.486 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.6 t -57.48 -53.21 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.023 0.929 . . . . 0.0 111.309 171.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -64.18 -35.16 79.88 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.888 0.875 . . . . 0.0 112.233 -175.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -70.53 -41.61 72.32 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.593 1.557 . . . . 0.0 110.699 176.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.6 mm -69.39 -32.67 54.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 124.356 1.062 . . . . 0.0 112.535 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.9 t -58.66 -42.81 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 O-C-N 120.8 -1.188 . . . . 0.0 110.578 166.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.88 -46.91 93.15 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 123.541 0.591 . . . . 0.0 113.044 173.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -56.07 -39.78 72.57 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.381 1.072 . . . . 0.0 113.055 176.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.7 t -72.05 -33.83 68.27 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 118.205 -0.902 . . . . 0.0 112.731 177.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -68.29 -34.34 75.98 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.754 1.161 . . . . 0.0 111.39 169.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.98 -1.24 1.92 Allowed 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 173.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -131.1 9.09 4.8 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 163.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.0 p -73.66 162.77 28.83 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -170.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.6 m -138.93 135.56 34.53 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.241 1.416 . . . . 0.0 110.005 -170.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -43.32 -60.05 1.86 Allowed 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 125.263 1.425 . . . . 0.0 111.481 177.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.3 tptt -74.13 15.38 0.32 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.511 1.524 . . . . 0.0 114.732 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 82.5 mmt-85 -131.49 11.62 4.9 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.84 1.656 . . . . 0.0 113.713 172.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -47.12 -38.14 11.02 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.118 1.367 . . . . 0.0 114.031 178.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -30.76 71.4 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.711 -1.243 . . . . 0.0 112.983 179.053 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.0 mt -83.75 -36.76 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 124.042 0.937 . . . . 0.0 110.982 -177.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.1 p -63.95 -41.26 97.64 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.499 1.045 . . . . 0.0 111.098 168.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.4 t -57.76 -44.72 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-O 118.654 -0.689 . . . . 0.0 111.342 170.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.0 89.48 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.735 1.152 . . . . 0.0 113.752 177.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.9 tp -68.28 -41.43 81.02 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.448 -0.783 . . . . 0.0 111.684 173.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.9 t -64.35 -34.77 71.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 O-C-N 121.083 -1.011 . . . . 0.0 111.662 174.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -60.63 -32.03 71.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.027 0.931 . . . . 0.0 112.559 174.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -82.47 -46.47 13.41 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.144 0.884 . . . . 0.0 111.748 170.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.8 mt -53.26 -44.88 68.53 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 120.674 -1.266 . . . . 0.0 113.248 -176.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -71.57 -28.86 64.13 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 175.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -69.21 -43.62 73.75 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.712 0.805 . . . . 0.0 111.045 178.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.3 mt -60.22 -43.14 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 118.749 0.704 . . . . 0.0 109.458 170.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -59.04 -48.22 82.38 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 118.915 -0.564 . . . . 0.0 112.047 178.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -60.41 -53.25 59.79 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.376 1.07 . . . . 0.0 111.747 176.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -55.84 -44.3 77.84 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.758 1.223 . . . . 0.0 111.185 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.403 ' CD2' ' HB2' ' A' ' 69' ' ' SER . 12.5 m-85 -81.17 -33.09 33.31 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-O 117.576 -1.202 . . . . 0.0 113.361 -178.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.4 mt -54.06 -45.04 71.59 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.695 1.589 . . . . 0.0 110.517 167.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -64.75 -43.05 94.58 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 176.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -70.58 -34.35 72.1 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 118.728 0.695 . . . . 0.0 112.036 -179.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.2 mt -71.93 -39.71 67.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.912 1.285 . . . . 0.0 111.312 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 p -73.26 -23.54 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 O-C-N 121.062 -1.024 . . . . 0.0 112.879 174.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -86.45 -2.74 58.71 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.738 1.615 . . . . 0.0 113.635 171.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 t -71.35 -30.15 65.83 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 116.49 2.033 . . . . 0.0 116.49 -159.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.1 p 48.97 -21.61 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 120.561 3.541 . . . . 0.0 120.561 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.9 t -104.86 132.11 51.52 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 121.102 1.774 . . . . 0.0 110.679 171.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -67.11 -36.25 81.52 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.791 0.836 . . . . 0.0 111.335 172.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.0 m -76.05 -14.09 60.21 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.897 0.879 . . . . 0.0 113.038 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -89.94 -41.4 11.78 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.219 0.918 . . . . 0.0 112.127 162.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.6 mt -51.73 -42.28 62.18 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.444 1.098 . . . . 0.0 113.015 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -60.63 -25.84 66.59 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 178.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.5 mm -86.07 -34.6 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 C-N-CA 124.851 1.26 . . . . 0.0 112.882 177.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.54 -29.71 26.79 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.87 1.214 . . . . 0.0 112.305 176.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 64.0 mtm -60.5 -55.08 37.79 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 171.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 35.8 mtm -68.34 -34.11 75.5 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.333 1.053 . . . . 0.0 111.843 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -66.03 -46.35 78.17 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.194 0.998 . . . . 0.0 112.977 175.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.403 ' HB2' ' CD2' ' A' ' 49' ' ' TYR . 44.5 t -65.49 -43.7 89.37 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.089 0.859 . . . . 0.0 111.19 173.26 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 -57.54 -42.27 82.61 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.112 0.965 . . . . 0.0 112.307 178.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.5 t -59.74 -54.13 49.94 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.398 1.479 . . . . 0.0 111.997 171.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -59.78 -35.6 74.98 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.55 1.068 . . . . 0.0 112.732 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.3 t -70.03 -47.2 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.296 1.039 . . . . 0.0 111.92 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.08 -45.91 91.44 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.42 0.554 . . . . 0.0 110.856 173.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -59.07 -36.39 75.0 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.355 1.062 . . . . 0.0 112.332 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.33 -46.67 69.6 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.188 0.995 . . . . 0.0 112.418 175.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.4 t -58.25 -49.55 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 119.443 1.02 . . . . 0.0 109.859 172.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.5 t -58.89 -26.89 64.71 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 127.311 2.245 . . . . 0.0 113.899 177.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -76.42 -38.72 55.15 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.662 1.585 . . . . 0.0 112.24 174.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -87.56 -33.59 18.86 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -20.13 61.73 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.039 -1.038 . . . . 0.0 113.483 176.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp . . . . . 0 C--O 1.246 0.9 0 C-N-CA 127.135 2.174 . . . . 0.0 110.269 171.698 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -56.4 -52.39 64.8 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -161.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 p -67.88 -22.17 65.12 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -78.66 -53.35 7.26 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.611 1.165 . . . . 0.0 110.945 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -25.58 67.03 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.684 -0.635 . . . . 0.0 112.164 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.66 -41.75 87.71 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.488 -0.758 . . . . 0.0 112.943 172.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -63.35 -41.22 98.84 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.461 -0.774 . . . . 0.0 110.433 172.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.79 -44.69 93.83 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.958 0.503 . . . . 0.0 112.332 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -69.88 -38.2 76.3 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.075 0.852 . . . . 0.0 113.013 174.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -65.63 -38.68 90.07 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.466 1.03 . . . . 0.0 112.799 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -57.82 -43.65 85.91 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.213 1.005 . . . . 0.0 112.074 174.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.6 m -83.31 -32.13 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.561 -0.712 . . . . 0.0 112.854 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -56.34 -49.31 74.72 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.948 1.299 . . . . 0.0 111.432 168.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.46 -35.35 77.44 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.419 0.554 . . . . 0.0 111.856 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.06 -46.26 81.93 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.771 0.714 . . . . 0.0 111.462 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.8 t -58.66 -53.05 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.68 0.792 . . . . 0.0 111.174 175.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -66.96 -32.59 73.93 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 120.441 1.473 . . . . 0.0 113.492 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -69.13 -43.41 74.45 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.737 1.215 . . . . 0.0 110.546 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.2 mt -78.59 -30.66 15.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 124.077 0.951 . . . . 0.0 112.43 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 37.7 t -58.08 -45.86 88.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-N 119.424 1.011 . . . . 0.0 110.501 162.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.71 -40.83 99.68 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 121.556 -0.715 . . . . 0.0 113.796 177.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -69.55 -31.91 70.4 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.374 1.087 . . . . 0.0 112.651 174.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.8 t -60.85 -47.34 86.79 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.327 -0.858 . . . . 0.0 110.989 169.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -61.48 -34.63 75.8 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.197 -0.939 . . . . 0.0 112.773 170.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.0 -29.56 69.43 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.228 -0.92 . . . . 0.0 113.432 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -97.99 -14.33 20.63 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 173.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.5 m -71.76 163.44 27.79 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.273 1.429 . . . . 0.0 113.813 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.9 p -133.26 160.21 37.95 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.504 1.922 . . . . 0.0 110.364 171.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -54.54 -41.36 69.65 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 121.302 -0.874 . . . . 0.0 113.316 -177.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -54.4 -45.48 72.93 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.695 0.68 . . . . 0.0 111.485 176.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -89.03 10.52 21.31 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.986 1.714 . . . . 0.0 115.569 -172.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 54.5 t60 -58.08 -25.76 61.7 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -176.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.1 m -55.09 -38.19 67.79 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 120.923 -1.111 . . . . 0.0 112.308 172.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.4 mm -75.46 -40.51 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.087 1.355 . . . . 0.0 110.24 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.6 m -56.75 -46.79 81.2 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.289 0.636 . . . . 0.0 110.646 173.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.4 t -69.0 -38.83 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.669 0.787 . . . . 0.0 112.174 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.27 -44.06 97.85 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.255 0.934 . . . . 0.0 111.654 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.9 tp -68.57 -39.54 80.97 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 118.607 -0.711 . . . . 0.0 111.97 175.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.1 t -57.88 -47.59 85.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 CA-C-N 120.257 1.389 . . . . 0.0 111.372 172.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -61.13 -35.73 77.83 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.443 0.697 . . . . 0.0 112.235 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -72.8 -48.3 39.26 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.742 0.701 . . . . 0.0 112.314 173.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.3 mt -58.7 -37.96 77.24 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.636 1.174 . . . . 0.0 112.449 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -65.77 -32.91 74.71 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.889 0.876 . . . . 0.0 112.906 171.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -66.45 -41.08 89.63 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.332 1.053 . . . . 0.0 110.643 176.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.1 mt -63.21 -49.78 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 O-C-N 121.984 -0.447 . . . . 0.0 110.059 172.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -54.38 -43.97 71.84 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.433 0.561 . . . . 0.0 111.074 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -63.27 -54.62 34.31 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.096 1.758 . . . . 0.0 113.946 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.4 -47.95 82.21 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.261 0.937 . . . . 0.0 110.862 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -75.22 -31.27 60.83 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 117.786 -1.102 . . . . 0.0 111.482 -173.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.1 mt -53.89 -46.72 71.47 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 120.2 1.363 . . . . 0.0 111.728 164.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -66.09 -42.26 89.54 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.923 0.783 . . . . 0.0 111.821 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -65.9 -30.55 71.16 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.037 -1.039 . . . . 0.0 111.747 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 76.7 mt -79.31 -38.84 20.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 125.435 1.494 . . . . 0.0 111.788 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.1 p -80.77 -6.56 9.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 O-C-N 120.96 -1.088 . . . . 0.0 113.407 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -118.14 1.71 11.96 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.771 1.628 . . . . 0.0 113.469 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.1 t -71.06 130.01 40.43 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 120.285 -1.51 . . . . 0.0 111.251 -176.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.96 -37.04 48.38 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.411 0.685 . . . . 0.0 111.184 165.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.5 m -95.33 117.49 30.4 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 125.178 1.391 . . . . 0.0 112.474 -171.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -71.06 -39.25 72.32 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.455 -0.778 . . . . 0.0 112.813 -177.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 95.9 p -65.36 -3.38 4.09 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 173.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -98.49 -24.97 14.93 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.359 1.063 . . . . 0.0 113.162 170.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 79.5 mt -57.78 -46.01 85.19 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.82 1.191 . . . . 0.0 110.862 174.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -62.93 -23.98 67.64 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 177.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.5 mm -87.45 -35.75 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 124.349 1.06 . . . . 0.0 113.207 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 54.8 mt -58.1 -26.11 62.19 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.436 1.016 . . . . 0.0 112.364 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 46.1 mtm -57.61 -46.55 83.93 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.161 0.984 . . . . 0.0 113.367 167.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 33.6 mtm -75.78 -42.76 49.27 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 118.304 -0.855 . . . . 0.0 111.306 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.62 -45.86 90.71 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.45 1.023 . . . . 0.0 112.195 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.3 t -65.04 -32.68 74.52 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 118.516 0.598 . . . . 0.0 112.097 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -65.83 -45.87 80.67 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.26 0.936 . . . . 0.0 111.411 173.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.7 m -59.55 -33.9 71.99 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.948 0.794 . . . . 0.0 112.161 173.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -67.37 -44.84 77.96 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 118.989 0.813 . . . . 0.0 112.121 173.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.9 t -64.56 -46.32 92.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 123.374 0.67 . . . . 0.0 110.71 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -62.56 -41.9 99.21 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.4 1.48 . . . . 0.0 111.745 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -64.56 -46.31 83.33 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 121.173 -0.955 . . . . 0.0 112.338 172.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.63 97.4 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.888 0.767 . . . . 0.0 111.878 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 68.0 t -59.23 -57.11 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 118.799 0.727 . . . . 0.0 109.941 169.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -61.05 -16.82 48.01 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -175.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.61 -46.86 9.71 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 127.554 2.342 . . . . 0.0 113.669 170.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -78.76 -6.07 54.93 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.78 -14.43 62.95 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.975 1.31 . . . . 0.0 114.021 170.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.321 0 N-CA-C 118.208 2.67 . . . . 0.0 118.208 -166.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 90.5 mt . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 118.046 -0.978 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -77.48 -36.09 53.06 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 121.746 2.066 . . . . 0.0 114.06 -163.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 p -66.34 -18.24 65.24 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.268 1.427 . . . . 0.0 114.081 169.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -98.16 -45.48 6.2 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 126.13 1.772 . . . . 0.0 109.713 -173.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -62.84 -29.89 71.08 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 124.085 0.954 . . . . 0.0 112.356 172.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -65.09 -38.52 91.01 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.729 1.15 . . . . 0.0 111.414 174.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -67.0 -44.31 80.68 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 111.466 0.173 . . . . 0.0 111.466 173.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.57 -40.31 96.63 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.417 ' HE ' ' CD2' ' A' ' 50' ' ' LEU . 6.8 ptm180 -65.7 -41.11 92.74 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.299 -0.876 . . . . 0.0 111.117 172.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -61.3 -41.4 96.92 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 118.633 -0.699 . . . . 0.0 111.645 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -57.51 -48.29 79.67 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 122.831 0.452 . . . . 0.0 112.173 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.0 m -72.07 -28.73 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 177.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -66.22 -35.73 81.19 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.051 1.296 . . . . 0.0 112.497 168.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.409 ' HA ' ' HE3' ' A' ' 17' ' ' LYS . 55.6 mt-10 -73.16 -38.47 66.21 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.15 -0.969 . . . . 0.0 112.316 175.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -66.41 -42.71 87.39 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.93 0.786 . . . . 0.0 112.004 173.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.7 t -60.27 -51.63 70.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-O 117.588 -1.196 . . . . 0.0 110.827 171.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.409 ' HE3' ' HA ' ' A' ' 14' ' ' GLU . 11.2 ptpt -66.1 -33.15 75.12 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 121.463 1.938 . . . . 0.0 112.851 -177.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -60.17 -47.19 86.96 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.471 1.108 . . . . 0.0 110.259 172.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.6 mm -79.73 -31.23 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 123.601 0.76 . . . . 0.0 111.719 -173.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.7 t -61.3 -48.27 89.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.41 1.084 . . . . 0.0 109.995 165.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.85 -43.8 97.66 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 124.101 0.858 . . . . 0.0 113.008 175.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -60.51 -37.5 81.35 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.792 1.237 . . . . 0.0 113.037 172.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.5 p -57.57 -41.56 81.33 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.429 1.013 . . . . 0.0 111.816 -175.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -75.1 -38.02 61.3 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.067 0.947 . . . . 0.0 112.195 172.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.71 -29.01 69.99 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -80.69 -5.42 57.0 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 120.945 -1.097 . . . . 0.0 113.641 170.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.9 m -123.75 179.05 4.94 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.462 1.505 . . . . 0.0 112.977 -165.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.6 p -133.21 172.64 12.4 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.448 1.499 . . . . 0.0 109.953 174.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -59.54 -22.83 62.25 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 120.54 -1.35 . . . . 0.0 112.924 177.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -65.87 -22.73 66.55 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.338 1.455 . . . . 0.0 113.754 170.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -105.81 3.38 28.67 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 126.598 1.959 . . . . 0.0 114.021 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 -50.58 -38.71 46.94 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.563 1.945 . . . . 0.0 114.603 -169.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 m -74.97 -28.04 60.4 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.078 -1.014 . . . . 0.0 113.406 178.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.9 mt -70.34 -43.28 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.538 0.735 . . . . 0.0 109.36 173.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 p -61.51 -45.46 94.1 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 118.456 -0.783 . . . . 0.0 112.283 177.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.4 p -64.71 -30.68 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 CA-C-N 119.996 1.271 . . . . 0.0 112.444 177.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.94 -42.76 84.76 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 119.63 1.105 . . . . 0.0 113.091 174.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.6 tp -64.91 -37.5 87.85 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.256 -0.902 . . . . 0.0 111.571 171.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.1 t -71.11 -34.79 56.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 O-C-N 120.972 -1.08 . . . . 0.0 112.403 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -56.7 -40.85 76.35 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.758 0.823 . . . . 0.0 110.984 168.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -73.58 -42.76 61.15 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 123.345 0.658 . . . . 0.0 112.054 177.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.9 mt -59.15 -39.21 81.74 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 120.283 -1.51 . . . . 0.0 112.374 176.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -62.81 -35.71 80.77 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.581 0.752 . . . . 0.0 112.316 169.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -66.89 -43.89 82.29 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.524 0.73 . . . . 0.0 110.34 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.9 mt -60.76 -47.27 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 118.671 0.669 . . . . 0.0 110.276 171.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -53.22 -47.48 68.93 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.404 0.547 . . . . 0.0 111.581 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -77.17 -43.64 33.14 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.803 0.841 . . . . 0.0 112.493 -175.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -51.78 -45.06 63.66 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.536 0.734 . . . . 0.0 111.686 172.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -84.58 -31.04 24.54 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 117.964 -1.017 . . . . 0.0 112.804 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.417 ' CD2' ' HE ' ' A' ' 9' ' ' ARG . 7.6 mt -52.64 -47.61 66.95 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 120.866 1.666 . . . . 0.0 111.332 169.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -61.38 -41.92 97.87 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.123 0.569 . . . . 0.0 112.109 177.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -73.99 -21.21 60.08 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.069 0.948 . . . . 0.0 113.414 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.7 mt -84.98 -42.91 16.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 124.555 1.142 . . . . 0.0 110.948 175.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.8 p -68.49 -28.1 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 CA-C-N 119.92 1.236 . . . . 0.0 112.531 174.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -111.92 27.05 10.01 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 177.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.1 t -76.49 152.6 36.04 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.394 0.616 . . . . 0.0 109.871 162.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.6 t -121.54 -1.15 9.61 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.304 1.041 . . . . 0.0 113.049 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.6 m -130.05 126.58 38.0 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.792 1.637 . . . . 0.0 110.326 -176.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -70.57 -22.08 62.61 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.196 -0.94 . . . . 0.0 113.022 -172.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.2 p -60.28 -56.08 25.9 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 125.91 1.684 . . . . 0.0 111.174 166.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -62.79 -35.23 79.17 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.836 1.254 . . . . 0.0 112.445 -174.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.9 mt -51.35 -42.79 61.55 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.805 0.73 . . . . 0.0 111.996 172.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -75.41 -35.82 60.95 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.7 mm -70.4 -33.93 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 120.618 -1.301 . . . . 0.0 112.766 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.5 mt -55.68 -26.87 47.09 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.992 -1.067 . . . . 0.0 113.046 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 38.9 mtm -68.69 -21.66 64.41 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 172.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 33.9 mtm -98.68 -34.38 10.57 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 126.014 1.726 . . . . 0.0 111.884 177.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -65.86 -47.33 75.27 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.491 0.716 . . . . 0.0 112.056 172.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.1 t -60.21 -43.05 96.27 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.391 -0.818 . . . . 0.0 111.477 173.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.0 mtm180 -60.71 -39.39 88.4 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.188 -0.945 . . . . 0.0 113.234 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.6 m -55.4 -46.7 76.59 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.485 0.714 . . . . 0.0 111.418 171.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -70.95 -27.8 64.01 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.7 t -72.16 -41.2 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 120.999 -1.063 . . . . 0.0 111.084 172.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -62.58 -36.66 83.4 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.725 0.693 . . . . 0.0 111.41 171.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -62.2 -49.31 76.31 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.056 -1.027 . . . . 0.0 112.191 169.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.17 94.94 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.422 -0.799 . . . . 0.0 111.821 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.13 -54.36 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.268 0.627 . . . . 0.0 110.124 173.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.4 t -65.62 -19.23 65.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 117.94 -1.029 . . . . 0.0 113.452 -175.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -75.0 -57.43 3.91 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.722 1.609 . . . . 0.0 111.728 168.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -72.51 -22.37 61.05 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -171.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.12 -10.02 36.88 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.807 1.643 . . . . 0.0 115.133 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? . . . . . 0 C--O 1.251 1.139 0 C-N-CA 124.337 1.055 . . . . 0.0 113.151 177.655 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 N--CA 1.485 1.301 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -61.2 -30.34 70.36 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -177.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.5 p -81.94 -30.84 31.58 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.227 0.922 . . . . 0.0 112.203 170.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.3 -46.46 89.78 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.059 1.344 . . . . 0.0 111.567 174.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -24.57 60.94 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.444 0.698 . . . . 0.0 112.238 -177.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.25 -33.55 43.46 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.896 1.278 . . . . 0.0 113.92 176.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -77.13 -39.16 50.29 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.056 0.844 . . . . 0.0 111.912 169.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.31 -46.73 82.92 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.402 0.681 . . . . 0.0 112.54 175.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -65.78 -36.69 84.26 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.489 -0.757 . . . . 0.0 112.702 178.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -66.86 -41.46 87.3 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.92 0.888 . . . . 0.0 111.009 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -63.61 -45.04 92.12 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.237 0.615 . . . . 0.0 112.46 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.3 m -72.11 -29.4 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.11 -46.77 87.47 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.317 0.962 . . . . 0.0 110.647 165.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -63.79 -43.22 96.96 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 176.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -65.11 -45.38 85.39 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.836 0.743 . . . . 0.0 111.275 178.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 49.5 t -66.21 -49.32 76.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 117.85 -1.071 . . . . 0.0 111.435 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -62.59 -33.71 75.52 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.793 1.633 . . . . 0.0 112.274 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -67.58 -47.34 70.03 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.305 0.502 . . . . 0.0 110.037 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.9 mm -68.0 -31.71 53.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 C-N-CA 123.582 0.753 . . . . 0.0 111.508 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.4 t -61.77 -43.71 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.449 1.099 . . . . 0.0 111.607 168.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.6 -44.77 94.57 Favored Glycine 0 CA--C 1.534 1.269 0 CA-C-N 118.829 0.74 . . . . 0.0 112.804 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -62.74 -33.62 75.53 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.724 -0.868 . . . . 0.0 112.593 176.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.3 t -57.71 -44.12 85.7 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.67 1.188 . . . . 0.0 111.957 174.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -71.66 -40.53 69.59 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.107 -0.995 . . . . 0.0 112.292 171.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.25 -10.71 56.55 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.1 ptmm? -118.32 9.81 12.59 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.484 1.514 . . . . 0.0 114.929 176.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.0 p -126.42 -176.48 3.68 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.389 1.476 . . . . 0.0 110.741 171.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 p -129.89 165.19 22.55 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.124 -0.985 . . . . 0.0 110.937 174.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -50.22 -28.71 8.05 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.256 1.422 . . . . 0.0 113.482 174.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.3 -34.13 77.6 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.428 0.691 . . . . 0.0 112.408 177.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.8 mmm-85 -98.73 12.05 36.71 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.02 1.328 . . . . 0.0 113.518 -173.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -50.62 -33.01 20.61 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.718 1.607 . . . . 0.0 114.885 -166.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 36.1 m -60.95 -40.68 94.21 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.13 0.972 . . . . 0.0 113.058 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.6 mt -69.35 -41.95 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.708 0.803 . . . . 0.0 109.491 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m -60.23 -45.27 93.8 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.612 0.765 . . . . 0.0 111.021 175.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.2 t -64.41 -39.63 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 124.268 1.027 . . . . 0.0 112.098 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.3 87.0 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.322 0.965 . . . . 0.0 111.738 174.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.3 tp -64.48 -39.79 94.46 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.842 -0.536 . . . . 0.0 112.002 176.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.6 t -67.07 -38.22 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.156 0.983 . . . . 0.0 112.3 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -68.22 -34.84 77.0 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.599 -0.688 . . . . 0.0 111.882 173.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -73.17 -41.49 63.82 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.983 0.81 . . . . 0.0 112.202 175.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 mt -51.16 -41.37 60.11 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.185 1.394 . . . . 0.0 111.82 168.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -75.09 -23.75 58.04 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 174.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -67.55 -46.14 73.63 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 120.545 1.52 . . . . 0.0 109.624 170.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.2 mt -62.54 -42.08 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 123.065 0.546 . . . . 0.0 110.406 174.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -59.27 -49.16 78.92 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.227 0.922 . . . . 0.0 111.74 173.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.96 -49.84 67.85 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.288 1.435 . . . . 0.0 112.394 174.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -65.15 -40.93 95.04 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.937 0.895 . . . . 0.0 111.658 -176.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -85.48 -26.7 26.12 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.304 -0.855 . . . . 0.0 112.67 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 33.6 mt -58.21 -45.05 88.35 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 120.199 1.363 . . . . 0.0 110.918 163.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -59.34 -42.53 91.71 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.265 0.484 . . . . 0.0 111.504 174.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -68.29 -30.25 69.21 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.417 -0.802 . . . . 0.0 113.088 177.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.4 mt -85.37 -34.12 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 124.632 1.173 . . . . 0.0 111.572 -176.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.3 p -75.32 -41.14 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 121.099 -1.001 . . . . 0.0 111.498 169.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -97.98 25.52 5.96 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.782 1.233 . . . . 0.0 113.189 -176.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t -74.2 134.46 42.75 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 121.282 -0.886 . . . . 0.0 109.717 166.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 t -91.36 -7.26 51.38 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.788 0.835 . . . . 0.0 112.628 167.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.5 m -123.62 132.09 53.78 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.059 1.744 . . . . 0.0 111.274 -169.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -74.36 -57.7 3.77 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -172.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.5 m -68.6 -20.86 64.52 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.497 1.499 . . . . 0.0 112.56 -174.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -56.56 -34.69 67.35 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.482 1.113 . . . . 0.0 112.044 168.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.1 mt -57.89 -34.51 69.88 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.934 0.894 . . . . 0.0 111.984 174.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -75.47 -36.31 60.69 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 122.619 0.368 . . . . 0.0 111.262 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 20.0 mm -73.01 -34.75 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 O-C-N 121.1 -1.0 . . . . 0.0 112.083 177.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.1 mt -56.16 -25.98 48.61 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.959 0.904 . . . . 0.0 112.857 174.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 41.7 mtm -65.55 -43.41 89.97 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.149 0.886 . . . . 0.0 112.403 170.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 42.6 mtm -77.6 -36.15 52.12 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.139 -0.976 . . . . 0.0 112.156 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -64.95 -47.58 77.15 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 121.611 -0.681 . . . . 0.0 112.075 172.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.2 p -63.64 -37.27 86.71 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 118.851 -0.595 . . . . 0.0 112.334 176.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -56.81 -47.61 79.85 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.345 1.058 . . . . 0.0 111.819 170.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.3 t -65.25 -36.14 83.21 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.32 0.648 . . . . 0.0 112.414 177.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -69.49 -41.51 76.03 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.651 1.181 . . . . 0.0 112.087 176.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.2 -49.95 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.652 1.181 . . . . 0.0 111.139 172.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -72.82 -12.85 61.15 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -75.69 -44.44 42.2 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.12 -0.987 . . . . 0.0 112.039 165.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.49 -41.17 98.62 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.469 0.577 . . . . 0.0 110.863 175.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.7 t -58.12 -59.49 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 118.391 0.542 . . . . 0.0 110.241 169.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.1 t -50.17 -38.09 37.94 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.317 1.047 . . . . 0.0 113.534 -177.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -86.12 -38.21 18.0 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.33 1.052 . . . . 0.0 113.393 -177.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -71.72 -27.15 62.81 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 120.416 1.462 . . . . 0.0 112.701 174.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -61.19 -11.38 8.96 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.303 1.441 . . . . 0.0 114.33 173.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 92.5 mttt . . . . . 0 C--O 1.25 1.079 0 C-N-CA 126.329 1.851 . . . . 0.0 112.317 -175.316 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 113.348 0.869 . . . . 0.0 113.348 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -45.94 -47.12 16.46 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 128.875 2.87 . . . . 0.0 114.804 171.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 p -61.48 -39.21 90.1 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.062 1.745 . . . . 0.0 111.727 173.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -71.52 -45.08 63.4 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.557 1.143 . . . . 0.0 111.841 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.84 -19.9 64.28 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.124 -0.985 . . . . 0.0 113.512 177.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -79.35 -45.01 20.43 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.165 0.586 . . . . 0.0 112.549 170.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -72.85 -37.87 67.25 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.286 -0.884 . . . . 0.0 112.514 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.56 98.62 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.915 1.286 . . . . 0.0 113.091 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 ptm85 -65.72 -34.81 79.05 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 118.942 -0.552 . . . . 0.0 111.29 174.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -61.69 -50.15 73.63 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 118.259 -0.876 . . . . 0.0 111.612 172.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -54.29 -44.17 71.71 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.05 0.94 . . . . 0.0 112.478 -176.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.8 m -68.98 -33.73 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 O-C-N 121.232 -0.917 . . . . 0.0 113.365 174.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -67.83 -31.62 71.59 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 120.963 -1.086 . . . . 0.0 113.139 170.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.9 -38.99 87.29 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.199 1.363 . . . . 0.0 111.413 173.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -74.57 -46.13 40.78 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.988 -0.445 . . . . 0.0 112.074 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.5 t -61.26 -43.86 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 120.939 -1.1 . . . . 0.0 111.075 176.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -65.68 -31.47 72.5 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 120.489 1.495 . . . . 0.0 113.197 178.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -64.72 -53.12 52.3 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 118.587 0.63 . . . . 0.0 109.686 175.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.5 mm -67.86 -37.45 78.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 124.086 0.955 . . . . 0.0 111.327 -175.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.8 t -61.79 -46.19 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 O-C-N 121.287 -0.883 . . . . 0.0 111.218 170.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.22 -44.55 97.55 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 118.763 0.71 . . . . 0.0 113.289 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -67.51 -36.0 80.19 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 117.776 0.788 . . . . 0.0 112.392 176.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.1 t -60.1 -48.8 80.22 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.403 1.081 . . . . 0.0 111.642 172.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -62.42 -27.71 69.29 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.93 -32.96 26.93 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 176.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -86.81 -20.68 27.2 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 120.301 1.41 . . . . 0.0 113.578 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.1 t -49.06 149.28 1.99 Allowed 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 126.808 2.043 . . . . 0.0 112.287 164.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 62.0 m -154.26 152.99 30.95 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.88 1.272 . . . . 0.0 109.74 175.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -53.37 -26.1 18.02 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 116.28 1.955 . . . . 0.0 116.28 -169.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -66.02 -18.9 65.64 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.932 1.693 . . . . 0.0 113.789 173.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -130.91 19.55 5.02 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.969 1.707 . . . . 0.0 113.92 -173.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -57.18 -33.49 67.52 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -167.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.1 p -60.7 -38.01 83.6 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.539 1.136 . . . . 0.0 113.226 172.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.2 mt -69.19 -40.05 80.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 123.732 0.813 . . . . 0.0 110.038 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.6 m -59.2 -53.33 59.5 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.867 0.467 . . . . 0.0 110.912 174.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.5 p -65.58 -31.84 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 118.709 0.686 . . . . 0.0 111.99 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.94 -50.35 68.99 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.269 0.941 . . . . 0.0 112.514 172.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.0 tp -66.37 -35.58 80.7 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.959 0.8 . . . . 0.0 112.108 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.8 t -65.08 -39.13 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 121.226 -0.921 . . . . 0.0 111.806 175.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -67.27 -39.5 86.07 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 118.865 -0.588 . . . . 0.0 111.628 171.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -64.15 -42.04 96.93 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.132 0.878 . . . . 0.0 111.69 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.6 mt -57.1 -44.04 82.85 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.892 1.277 . . . . 0.0 112.374 172.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -72.49 -25.31 61.37 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 117.832 -1.08 . . . . 0.0 113.233 174.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -68.45 -48.34 64.79 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 126.618 1.967 . . . . 0.0 109.935 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.6 mt -62.36 -46.03 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.857 -0.527 . . . . 0.0 109.964 171.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -57.14 -49.22 76.59 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 118.607 0.639 . . . . 0.0 111.578 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -59.53 -49.22 78.61 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.777 2.031 . . . . 0.0 112.383 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -60.04 -50.6 73.09 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.386 1.074 . . . . 0.0 111.213 174.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -75.33 -33.18 61.11 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 120.83 -1.169 . . . . 0.0 112.414 -174.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.4 mt -53.82 -43.33 69.3 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.883 1.22 . . . . 0.0 110.745 166.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -70.07 -40.95 74.74 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.856 0.862 . . . . 0.0 112.268 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -66.26 -34.95 79.16 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 121.208 -0.932 . . . . 0.0 112.096 177.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 68.7 mt -74.36 -43.35 49.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 124.446 1.098 . . . . 0.0 111.092 -177.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.73 -33.57 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 119.688 1.131 . . . . 0.0 112.05 174.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -82.66 1.11 40.05 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 t -74.67 161.68 29.44 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 120.638 -1.289 . . . . 0.0 112.497 -174.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.6 t -109.89 -27.58 9.19 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -166.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.8 m -145.09 138.25 26.53 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.111 0.964 . . . . 0.0 112.571 -168.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -57.46 -33.72 68.26 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.247 1.819 . . . . 0.0 114.13 -177.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.9 p -59.71 -54.77 42.51 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.896 1.278 . . . . 0.0 111.985 172.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -68.82 -30.89 69.54 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.478 -0.764 . . . . 0.0 111.649 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.1 mt -59.58 -40.33 87.03 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.185 0.994 . . . . 0.0 112.568 171.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -64.88 -41.86 95.28 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 118.806 0.73 . . . . 0.0 111.666 172.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.4 mm -69.81 -34.1 59.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 O-C-N 120.597 -1.314 . . . . 0.0 112.283 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.2 mt -56.71 -27.37 58.9 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.456 0.909 . . . . 0.0 113.456 175.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 41.6 mtm -62.81 -52.51 62.88 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.512 0.596 . . . . 0.0 111.549 170.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 34.5 mtm -69.39 -36.13 76.47 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 124.129 0.971 . . . . 0.0 112.198 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -60.59 -50.78 72.17 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.033 0.833 . . . . 0.0 111.578 171.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.3 t -65.5 -36.25 83.28 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.593 -0.692 . . . . 0.0 111.57 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -67.22 -47.17 71.64 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.309 0.959 . . . . 0.0 112.507 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.0 t -55.04 -48.17 73.8 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.476 1.51 . . . . 0.0 110.876 173.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -72.5 -27.25 62.15 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.395 -0.816 . . . . 0.0 112.594 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.9 t -66.49 -46.78 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 119.372 0.987 . . . . 0.0 111.42 167.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -65.38 -31.1 72.03 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 122.963 0.505 . . . . 0.0 111.972 176.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -67.03 -39.17 86.96 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.442 1.097 . . . . 0.0 112.333 169.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.66 80.71 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 120.896 -1.128 . . . . 0.0 111.425 175.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.52 -54.55 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.264 0.625 . . . . 0.0 109.798 167.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.8 t -59.23 -39.65 83.41 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.097 0.862 . . . . 0.0 112.655 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -56.92 -32.58 66.09 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.838 1.655 . . . . 0.0 113.006 173.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -97.13 -27.66 14.47 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.532 1.133 . . . . 0.0 113.815 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -74.22 -20.66 60.11 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.408 1.083 . . . . 0.0 113.681 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.2 mttp . . . . . 0 C--O 1.247 0.966 0 C-N-CA 125.567 1.547 . . . . 0.0 113.178 178.247 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 N--CA 1.483 1.221 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -63.71 -38.12 89.91 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.955 1.302 . . . . 0.0 113.751 -174.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -74.49 -26.88 60.29 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.737 -1.227 . . . . 0.0 111.922 171.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -66.95 -43.32 83.46 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 120.375 -1.453 . . . . 0.0 111.783 172.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 ptp85 -67.67 -31.24 71.08 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 119.14 -0.457 . . . . 0.0 111.507 173.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -63.65 -48.74 76.0 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 124.13 0.972 . . . . 0.0 111.907 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -57.22 -46.27 83.07 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.75 0.82 . . . . 0.0 110.562 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.7 -47.6 77.77 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -63.94 -40.07 95.6 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.63 1.105 . . . . 0.0 111.961 179.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -63.35 -40.39 97.16 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.647 0.658 . . . . 0.0 112.537 177.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -68.16 -44.75 75.28 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 m -70.42 -31.13 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 175.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.69 -49.52 77.16 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 118.995 0.816 . . . . 0.0 110.656 168.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -60.67 -39.49 88.6 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 119.54 1.063 . . . . 0.0 112.902 174.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -63.51 -41.39 98.52 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.556 1.071 . . . . 0.0 111.911 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.6 t -68.64 -47.1 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 O-C-N 121.047 -1.033 . . . . 0.0 111.567 172.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -61.93 -31.77 72.12 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 120.397 1.453 . . . . 0.0 112.502 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -63.52 -55.95 19.93 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.941 1.296 . . . . 0.0 110.542 169.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.0 mm -72.33 -24.73 22.39 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 123.368 0.667 . . . . 0.0 112.436 -170.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.4 t -63.05 -45.59 98.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 O-C-N 120.587 -1.321 . . . . 0.0 110.926 164.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.7 -33.97 82.03 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.049 0.833 . . . . 0.0 113.8 176.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -61.26 -48.08 83.07 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 121.433 -1.039 . . . . 0.0 110.728 165.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.8 m -63.78 -34.89 78.91 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.118 -0.989 . . . . 0.0 112.955 -175.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -69.94 -39.09 76.29 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.396 -0.815 . . . . 0.0 112.765 170.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.05 -33.93 76.91 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.385 0.993 . . . . 0.0 113.183 174.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -84.53 12.92 6.13 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.933 2.093 . . . . 0.0 113.369 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.2 p -143.61 -157.12 0.75 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.281 1.032 . . . . 0.0 112.477 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -150.97 151.69 32.46 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.621 1.568 . . . . 0.0 109.253 -167.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -59.24 -39.66 83.47 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 120.102 -1.623 . . . . 0.0 112.461 174.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -58.98 -18.04 30.41 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.282 1.433 . . . . 0.0 113.447 170.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -111.87 8.93 20.59 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 127.866 2.466 . . . . 0.0 113.988 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.3 p-80 -52.3 -31.22 31.98 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -175.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.2 m -57.67 -37.74 73.93 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.601 1.091 . . . . 0.0 111.8 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.9 mm -72.93 -45.99 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 124.969 1.308 . . . . 0.0 109.547 177.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.87 -42.38 97.53 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.543 0.737 . . . . 0.0 111.622 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -61.88 -33.59 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.241 1.417 . . . . 0.0 111.502 177.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.21 -49.7 63.55 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.562 1.073 . . . . 0.0 112.061 172.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.8 tp -61.74 -36.97 82.54 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.401 0.68 . . . . 0.0 112.173 177.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.9 t -73.84 -34.34 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.35 1.06 . . . . 0.0 112.423 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -59.82 -42.44 93.52 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.352 0.524 . . . . 0.0 110.936 168.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -69.05 -44.2 73.12 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 122.661 0.384 . . . . 0.0 111.53 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.6 mt -55.86 -38.3 69.93 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 120.608 -1.308 . . . . 0.0 112.519 172.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -68.11 -36.7 80.18 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.459 -0.776 . . . . 0.0 112.814 170.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -67.38 -44.59 78.54 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.607 0.763 . . . . 0.0 109.819 -176.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 68.2 mt -61.86 -47.21 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 124.217 1.007 . . . . 0.0 110.637 173.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -55.69 -51.49 67.09 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 118.789 0.722 . . . . 0.0 111.449 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -85.35 -19.48 31.38 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -168.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -59.07 -54.62 44.95 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 157.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.401 ' CD2' ' HB3' ' A' ' 69' ' ' SER . 11.9 m-85 -68.97 -28.03 66.25 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 118.275 -0.869 . . . . 0.0 113.336 -175.123 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.3 mt -57.2 -36.32 70.7 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 120.137 1.335 . . . . 0.0 112.176 167.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -71.11 -46.03 62.5 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.252 0.933 . . . . 0.0 111.741 169.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.0 mtpt -61.95 -25.99 67.93 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 121.006 -1.059 . . . . 0.0 112.729 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.7 mt -92.05 -42.68 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 126.921 2.089 . . . . 0.0 111.571 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 p -65.95 -35.54 75.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.996 1.271 . . . . 0.0 111.625 174.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -85.74 7.02 25.24 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 176.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.97 151.43 28.49 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 122.216 1.007 . . . . 0.0 111.976 168.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.0 t -137.26 0.88 2.37 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.504 1.522 . . . . 0.0 112.689 -168.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 m -140.64 121.49 14.47 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.008 1.323 . . . . 0.0 111.72 -169.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -61.02 -44.38 97.5 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -172.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.9 m -71.1 -9.98 58.99 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -177.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -96.76 -40.2 9.08 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.434 1.093 . . . . 0.0 111.774 168.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.4 mt -52.41 -43.25 64.68 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.141 1.376 . . . . 0.0 113.103 177.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -65.89 -22.66 66.53 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.7 mm -84.11 -31.74 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 O-C-N 120.732 -1.23 . . . . 0.0 112.755 177.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.02 -29.6 44.26 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.226 0.921 . . . . 0.0 111.821 172.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 56.4 mtm -58.01 -51.03 71.34 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.278 0.631 . . . . 0.0 112.107 170.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 30.1 mtm -70.8 -42.25 70.56 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.589 1.156 . . . . 0.0 112.706 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -58.79 -35.35 72.67 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.781 0.833 . . . . 0.0 112.201 174.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.401 ' HB3' ' CD2' ' A' ' 49' ' ' TYR . 10.5 p -72.99 -41.44 64.33 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 171.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -65.52 -36.77 84.81 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.747 1.219 . . . . 0.0 112.641 -174.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.8 t -55.85 -49.4 73.43 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.774 0.671 . . . . 0.0 111.004 168.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -66.3 -37.54 85.66 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.711 0.804 . . . . 0.0 113.013 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.85 -46.32 85.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 118.611 0.641 . . . . 0.0 111.033 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.09 -28.72 64.54 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.779 -0.629 . . . . 0.0 112.145 173.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -67.46 -37.72 83.36 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.771 1.169 . . . . 0.0 113.183 174.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.37 -44.38 92.74 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.254 0.622 . . . . 0.0 110.716 173.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 24.0 t -66.16 -41.14 88.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 121.785 -0.572 . . . . 0.0 110.888 171.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.18 -33.69 63.22 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.953 1.701 . . . . 0.0 112.545 178.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -71.26 -38.98 71.85 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.616 1.166 . . . . 0.0 112.892 173.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -83.36 -21.34 33.14 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -176.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -94.04 7.51 44.86 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -173.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 116.906 -1.521 . . . . 0.0 114.267 169.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 N--CA 1.482 1.166 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -86.88 -42.35 13.29 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 120.134 1.334 . . . . 0.0 111.74 -175.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 p -59.94 -19.63 53.01 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.152 -0.968 . . . . 0.0 113.059 165.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.79 -58.48 3.24 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.324 1.45 . . . . 0.0 112.33 168.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -26.55 68.89 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.146 -0.972 . . . . 0.0 113.081 -176.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -67.91 -28.06 67.18 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 173.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -78.36 -44.34 25.31 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 122.604 0.362 . . . . 0.0 110.334 169.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.42 -41.95 77.22 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.281 1.032 . . . . 0.0 112.686 -177.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -66.42 -32.16 73.36 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -81.64 -36.1 29.23 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 124.776 1.23 . . . . 0.0 111.531 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -56.27 -42.96 78.29 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.264 1.026 . . . . 0.0 111.971 173.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.1 m -72.37 -27.45 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 176.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -64.99 -40.8 95.5 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.459 1.027 . . . . 0.0 111.852 165.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -71.89 -14.25 61.89 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -80.82 -59.49 2.65 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.367 -0.833 . . . . 0.0 110.708 159.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.1 t -54.16 -51.69 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 124.167 0.987 . . . . 0.0 113.09 -176.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -63.83 -34.88 78.92 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 120.464 1.484 . . . . 0.0 112.463 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -72.58 -45.55 58.6 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.392 0.677 . . . . 0.0 110.489 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.2 mm -61.92 -35.99 71.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 124.604 1.161 . . . . 0.0 111.028 176.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.1 t -60.96 -52.69 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.895 0.878 . . . . 0.0 111.105 168.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.31 -40.31 97.28 Favored Glycine 0 CA--C 1.537 1.414 0 CA-C-N 119.154 0.888 . . . . 0.0 113.894 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -74.96 -31.04 61.38 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.254 -1.145 . . . . 0.0 112.196 175.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 t -77.24 -6.5 53.31 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 120.462 -1.399 . . . . 0.0 114.079 170.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -85.16 -31.65 23.14 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.356 0.98 . . . . 0.0 111.803 157.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.44 -34.07 75.33 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.558 1.072 . . . . 0.0 113.494 176.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . 0.323 21.5 pttp -87.44 18.74 3.66 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 170.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.4 m -129.6 179.58 5.74 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.99 1.716 . . . . 0.0 111.668 177.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.2 m -129.22 155.53 45.4 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 126.012 1.725 . . . . 0.0 108.816 168.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -45.74 -46.17 14.92 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.036 1.334 . . . . 0.0 113.839 174.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.37 -34.76 64.57 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 120.969 -1.082 . . . . 0.0 113.61 173.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -93.64 11.0 30.42 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.735 2.014 . . . . 0.0 113.867 176.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -51.58 -32.51 28.76 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.93 1.241 . . . . 0.0 112.511 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.69 -42.59 11.81 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 127.983 2.513 . . . . 0.0 112.762 174.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.1 mt -70.04 -47.05 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.244 1.018 . . . . 0.0 110.042 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.5 m -68.18 -35.22 77.68 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.81 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 49.8 t -64.28 -43.61 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 CA-C-N 120.467 1.485 . . . . 0.0 111.044 174.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.06 85.78 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.789 -0.569 . . . . 0.0 112.486 175.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.9 tp -74.31 -35.34 63.66 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.583 0.753 . . . . 0.0 112.777 173.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.9 t -59.32 -43.56 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 120.474 1.488 . . . . 0.0 110.78 173.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.52 -34.75 76.05 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.172 0.589 . . . . 0.0 111.807 176.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -74.39 -46.08 42.7 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.782 0.833 . . . . 0.0 112.295 173.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.4 mt -57.76 -39.25 76.98 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.429 -1.419 . . . . 0.0 111.085 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -69.49 -31.79 70.27 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 117.735 -1.126 . . . . 0.0 113.775 171.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -62.79 -50.5 70.76 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.324 1.45 . . . . 0.0 110.448 174.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.1 mt -62.6 -47.45 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 118.109 0.413 . . . . 0.0 110.236 175.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -53.97 -47.12 71.7 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.769 0.827 . . . . 0.0 111.63 176.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -66.41 -47.19 74.06 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.818 1.647 . . . . 0.0 112.353 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -60.51 -42.1 95.71 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.734 -0.604 . . . . 0.0 111.266 176.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -78.11 -35.92 48.6 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 118.304 -0.855 . . . . 0.0 111.802 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.5 mt -50.77 -45.95 59.27 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.319 1.418 . . . . 0.0 111.208 166.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -71.41 -40.06 70.71 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.102 0.561 . . . . 0.0 111.799 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -60.57 -36.58 78.85 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.321 -0.862 . . . . 0.0 112.442 171.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.1 mt -81.45 -27.86 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 123.618 0.767 . . . . 0.0 112.084 -171.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.8 p -77.06 -37.54 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 O-C-N 121.062 -1.024 . . . . 0.0 112.354 165.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -95.09 -1.59 51.77 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -172.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.1 t -63.44 145.81 54.86 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 121.025 -1.047 . . . . 0.0 110.752 175.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.8 t -115.2 14.0 16.86 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.426 1.49 . . . . 0.0 111.873 175.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 m -134.89 112.84 10.99 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.684 1.594 . . . . 0.0 110.766 -174.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -71.9 -28.42 63.48 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.8 p -61.35 -55.92 26.21 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.248 1.019 . . . . 0.0 110.772 169.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -55.9 -37.01 68.31 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.548 1.139 . . . . 0.0 112.188 176.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.5 mt -56.58 -40.22 74.84 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.391 0.996 . . . . 0.0 112.959 177.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -75.93 -35.27 59.81 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.574 0.625 . . . . 0.0 112.305 176.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.4 mm -70.72 -32.78 50.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 O-C-N 120.731 -1.23 . . . . 0.0 111.989 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.9 mt -55.16 -28.43 52.79 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.143 0.977 . . . . 0.0 112.67 175.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 49.6 mtm -64.3 -47.16 80.53 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.133 0.878 . . . . 0.0 112.106 171.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 12.3 mmt -71.43 -38.74 71.34 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.814 1.246 . . . . 0.0 111.262 -178.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -61.7 -52.2 65.27 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.143 0.977 . . . . 0.0 111.448 171.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -40.18 93.99 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.652 1.115 . . . . 0.0 111.543 177.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -55.01 -51.82 65.07 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.003 0.921 . . . . 0.0 111.07 172.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.4 t -69.3 -34.4 74.64 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -65.64 -40.71 92.8 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.352 1.061 . . . . 0.0 110.833 175.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 17.8 t -64.36 -47.37 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.459 1.504 . . . . 0.0 111.64 172.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -61.68 -41.23 97.28 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.311 0.645 . . . . 0.0 111.421 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -65.84 -39.83 91.19 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.668 -0.645 . . . . 0.0 111.84 172.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.59 -36.53 83.03 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 119.534 1.061 . . . . 0.0 112.01 177.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.5 t -61.16 -51.4 73.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 118.653 0.661 . . . . 0.0 110.301 169.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.0 t -60.24 -35.59 75.82 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.544 0.738 . . . . 0.0 112.895 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -66.55 -15.08 63.14 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.478 1.911 . . . . 0.0 113.344 175.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -105.48 -12.79 15.85 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.617 1.967 . . . . 0.0 113.922 170.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -73.6 -19.59 60.83 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 120.058 -1.651 . . . . 0.0 114.093 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.94 0 C-N-CA 125.441 1.496 . . . . 0.0 113.504 -176.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 10.4 mp . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 119.094 -0.479 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -68.9 -38.75 79.82 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -173.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 m -62.47 -26.96 68.8 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.315 -1.491 . . . . 0.0 112.223 166.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.36 -38.05 65.84 Favored 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 124.065 0.946 . . . . 0.0 112.735 175.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -72.08 -32.2 66.8 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 118.743 -0.646 . . . . 0.0 111.42 172.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -72.02 -42.37 66.46 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 178.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -64.45 -41.43 96.55 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.925 172.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.97 -48.79 75.05 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -63.26 -38.25 90.43 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.32 -0.863 . . . . 0.0 112.156 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -66.65 -39.77 88.38 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.607 0.763 . . . . 0.0 111.982 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -63.55 -44.38 94.35 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.174 1.39 . . . . 0.0 112.609 177.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.1 m -77.84 -29.25 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 121.273 -0.892 . . . . 0.0 112.072 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -58.43 -54.12 50.62 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.925 1.29 . . . . 0.0 111.695 167.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.46 -35.63 81.07 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.41 0.55 . . . . 0.0 112.462 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -69.87 -44.0 70.7 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.53 -0.731 . . . . 0.0 112.322 176.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 t -60.52 -48.96 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 119.513 1.051 . . . . 0.0 111.464 175.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -64.74 -34.08 77.48 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 120.369 1.44 . . . . 0.0 112.478 177.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -70.46 -42.21 71.74 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.631 0.65 . . . . 0.0 110.303 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.9 mm -72.48 -29.73 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 124.609 1.163 . . . . 0.0 112.138 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.7 t -59.24 -44.16 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 119.531 1.059 . . . . 0.0 110.36 162.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.62 -43.84 97.35 Favored Glycine 0 CA--C 1.535 1.322 0 O-C-N 121.621 -0.675 . . . . 0.0 114.03 172.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -63.46 -32.52 73.99 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.63 1.215 . . . . 0.0 112.08 173.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.2 t -63.21 -47.95 80.36 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.158 -0.964 . . . . 0.0 111.091 171.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -72.51 1.14 8.63 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 171.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.4 -37.23 12.09 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.05 -1.031 . . . . 0.0 112.045 164.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.6 ptpt -95.44 -15.32 23.06 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 115.613 1.708 . . . . 0.0 115.613 -178.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.8 p -90.49 -177.42 5.05 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.792 1.178 . . . . 0.0 114.115 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.16 156.58 43.52 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.107 2.163 . . . . 0.0 109.786 -175.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -41.5 -43.3 2.61 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.799 1.64 . . . . 0.0 112.903 163.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.41 -20.56 65.65 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.583 1.153 . . . . 0.0 113.056 178.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -120.35 27.8 8.39 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.289 2.236 . . . . 0.0 112.46 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.5 t60 -52.54 -44.74 65.98 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.675 -0.64 . . . . 0.0 111.426 176.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.2 m -46.68 -51.84 15.11 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.207 1.403 . . . . 0.0 113.595 171.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.3 mm -67.71 -34.58 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 123.69 0.796 . . . . 0.0 110.301 -175.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.3 m -67.09 -44.2 80.63 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.266 1.026 . . . . 0.0 111.088 174.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 75.6 t -65.35 -40.05 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.442 1.097 . . . . 0.0 111.903 175.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.28 83.29 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.412 0.551 . . . . 0.0 111.439 175.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.0 tp -66.52 -34.41 77.85 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.802 0.728 . . . . 0.0 112.488 176.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.0 t -58.68 -48.18 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 121.077 -1.014 . . . . 0.0 111.642 170.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -68.57 -30.71 69.53 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 119.01 -0.519 . . . . 0.0 112.168 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -69.6 -47.97 61.7 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.768 0.713 . . . . 0.0 111.801 173.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.3 mt -57.93 -36.35 72.38 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 120.567 -1.333 . . . . 0.0 111.43 174.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -72.78 -27.28 61.91 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 171.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -71.59 -49.05 44.1 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.316 1.446 . . . . 0.0 109.062 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 75.6 mt -59.0 -44.65 91.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 124.64 1.176 . . . . 0.0 110.186 173.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -60.21 -53.95 51.57 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 118.259 0.481 . . . . 0.0 111.779 176.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -58.43 -44.9 89.3 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.018 0.927 . . . . 0.0 112.112 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -58.48 -52.43 65.67 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.236 1.014 . . . . 0.0 111.139 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -77.91 -28.33 49.75 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 118.097 -0.954 . . . . 0.0 113.497 -176.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.5 mt -59.58 -43.53 93.63 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 120.649 1.568 . . . . 0.0 111.066 166.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.1 -28.16 66.24 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 118.408 0.549 . . . . 0.0 112.433 178.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -70.18 -48.96 54.98 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 118.934 0.788 . . . . 0.0 110.291 170.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.8 mt -62.66 -42.07 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 125.619 1.568 . . . . 0.0 111.68 -175.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.9 -30.86 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 O-C-N 120.581 -1.325 . . . . 0.0 113.654 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -96.1 1.2 52.29 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.118 1.767 . . . . 0.0 113.134 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.3 m -71.52 105.21 3.53 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 120.607 -1.308 . . . . 0.0 112.835 -173.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.3 t -81.74 30.53 0.37 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.628 1.571 . . . . 0.0 112.953 -177.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.9 m -162.1 127.23 3.39 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.786 1.634 . . . . 0.0 112.256 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -73.03 -28.56 62.42 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.7 p -57.81 -59.65 4.91 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.467 1.507 . . . . 0.0 110.662 169.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -54.52 -41.26 69.47 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.751 1.22 . . . . 0.0 112.261 176.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.2 mt -56.49 -41.02 75.91 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -67.72 -39.91 84.3 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.116 0.416 . . . . 0.0 111.593 174.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.2 mm -68.75 -33.69 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 O-C-N 120.726 -1.234 . . . . 0.0 112.171 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.8 mt -58.8 -26.15 63.81 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.446 -0.784 . . . . 0.0 113.109 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 35.9 mtm -64.45 -49.64 70.64 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.159 0.89 . . . . 0.0 111.321 170.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 30.9 mtm -68.75 -41.07 79.43 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.479 0.712 . . . . 0.0 112.054 -179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -64.7 -46.02 84.11 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.341 0.656 . . . . 0.0 112.21 176.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.7 p -66.27 -36.83 83.99 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.272 -0.893 . . . . 0.0 112.247 175.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -58.77 -44.79 90.72 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.044 0.838 . . . . 0.0 111.496 171.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 75.7 m -60.36 -41.43 93.65 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 118.394 -0.812 . . . . 0.0 112.214 174.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -65.65 -40.4 92.44 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.736 1.153 . . . . 0.0 113.383 174.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.6 t -63.24 -44.83 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.281 0.633 . . . . 0.0 110.847 177.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -69.26 -40.46 77.83 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 122.955 0.502 . . . . 0.0 111.95 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -55.91 -42.49 76.14 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.143 1.377 . . . . 0.0 111.63 172.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.6 73.03 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.789 0.835 . . . . 0.0 111.73 176.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.9 t -56.94 -47.51 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.312 0.96 . . . . 0.0 110.745 174.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.0 t -68.1 -33.07 73.84 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -67.06 -34.99 78.89 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.83 1.252 . . . . 0.0 112.619 171.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -82.52 -29.16 30.61 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -89.4 16.99 6.64 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt . . . . . 0 C--O 1.248 0.975 0 CA-C-O 116.159 -1.877 . . . . 0.0 112.529 171.918 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -50.67 -44.01 57.54 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.482 1.913 . . . . 0.0 115.823 -178.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -74.18 -30.46 62.24 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.319 -0.863 . . . . 0.0 111.975 177.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.96 -46.09 58.69 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.878 1.271 . . . . 0.0 111.099 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -2.84 12.92 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.83 -39.71 11.61 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.616 1.566 . . . . 0.0 113.747 160.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -66.78 -43.78 83.08 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.961 1.304 . . . . 0.0 112.605 178.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.09 -40.95 97.33 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.424 0.69 . . . . 0.0 112.619 176.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.2 ptt85 -72.0 -32.21 66.98 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 120.88 -1.138 . . . . 0.0 113.099 175.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -60.57 -38.42 84.5 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.785 0.834 . . . . 0.0 111.983 174.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -61.89 -49.01 77.93 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.409 0.684 . . . . 0.0 111.862 176.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.8 m -78.88 -26.5 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -56.84 -52.57 64.57 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.34 1.056 . . . . 0.0 111.196 167.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -73.1 -26.17 61.15 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.727 0.694 . . . . 0.0 112.556 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -66.56 -53.02 39.13 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.744 0.702 . . . . 0.0 111.975 171.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.2 t -55.11 -50.93 59.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.561 1.145 . . . . 0.0 110.256 172.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -60.09 -38.83 84.1 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.203 1.001 . . . . 0.0 112.949 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -67.86 -45.43 74.59 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.577 0.626 . . . . 0.0 110.891 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.0 mm -71.0 -29.67 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 C-N-CA 123.668 0.787 . . . . 0.0 111.524 -177.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.7 t -62.42 -45.66 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.684 1.194 . . . . 0.0 111.03 166.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.37 -43.6 98.83 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 123.38 0.514 . . . . 0.0 113.173 175.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -72.17 -32.38 66.78 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.276 1.03 . . . . 0.0 113.374 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.7 t -55.43 -46.91 76.65 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.377 1.071 . . . . 0.0 111.192 172.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -68.67 -47.84 65.46 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.972 -0.455 . . . . 0.0 112.118 170.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.36 -30.8 71.87 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -172.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -80.19 -4.82 54.62 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.715 1.206 . . . . 0.0 113.948 175.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 t -130.09 -164.36 1.41 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.226 1.411 . . . . 0.0 113.323 -164.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.0 p -150.23 164.69 35.05 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.071 1.748 . . . . 0.0 113.358 -169.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -67.08 -17.66 64.98 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.574 1.149 . . . . 0.0 112.9 177.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.4 mppt? -63.53 -41.0 98.49 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.76 0.824 . . . . 0.0 111.414 168.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -96.01 18.11 14.07 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.035 1.334 . . . . 0.0 113.759 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -57.83 -36.37 72.17 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -165.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 m -58.57 -38.98 79.05 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.884 0.874 . . . . 0.0 112.398 175.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 40.1 mt -72.08 -42.27 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.23 1.012 . . . . 0.0 109.905 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.9 p -63.2 -43.34 98.44 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.72 -0.612 . . . . 0.0 112.007 173.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 43.5 t -61.75 -40.04 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 123.549 0.74 . . . . 0.0 111.544 175.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.1 -46.83 76.25 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.401 1.001 . . . . 0.0 112.334 176.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.4 tp -61.89 -39.41 91.86 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.613 -0.679 . . . . 0.0 111.894 174.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 53.3 t -69.07 -39.84 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 121.078 -1.013 . . . . 0.0 112.171 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -57.67 -41.6 81.84 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 119.127 -0.463 . . . . 0.0 111.314 170.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -71.01 -45.76 63.38 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.711 0.687 . . . . 0.0 112.323 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.3 mt -53.2 -39.77 63.95 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 120.739 -1.226 . . . . 0.0 112.08 173.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -77.35 -26.11 51.68 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 174.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -70.27 -44.59 68.13 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.221 1.008 . . . . 0.0 109.662 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 58.7 mt -57.85 -45.12 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 124.524 1.129 . . . . 0.0 109.885 169.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -61.73 -41.87 98.21 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 118.171 -0.919 . . . . 0.0 112.366 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -63.89 -43.57 95.61 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.909 1.231 . . . . 0.0 112.581 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -63.89 -51.71 63.31 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 123.402 0.439 . . . . 0.0 111.272 172.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -76.69 -24.34 53.18 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.947 -1.095 . . . . 0.0 113.069 -171.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.2 mt -58.53 -46.19 87.3 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 120.179 1.354 . . . . 0.0 110.611 162.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.82 -21.31 62.48 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.662 0.785 . . . . 0.0 112.918 178.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -79.19 -48.86 13.47 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.346 1.059 . . . . 0.0 111.886 169.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.9 mt -67.99 -39.95 82.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.647 0.779 . . . . 0.0 111.043 -174.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.9 p -60.68 -27.78 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 O-C-N 120.872 -1.142 . . . . 0.0 112.24 173.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -110.59 3.42 19.38 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.195 1.798 . . . . 0.0 113.651 -166.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.8 t -63.02 124.19 20.47 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.341 -1.474 . . . . 0.0 109.712 -177.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.9 t -74.54 -29.24 61.3 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.5 t -97.5 131.47 44.09 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.3 1.04 . . . . 0.0 111.944 174.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -77.39 -6.79 54.66 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.083 0.953 . . . . 0.0 113.288 171.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.4 t -87.1 -43.05 12.57 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.894 0.878 . . . . 0.0 110.013 166.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -61.3 -32.89 72.74 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 118.418 -0.801 . . . . 0.0 112.269 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.6 mt -48.24 -45.09 33.83 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.655 1.116 . . . . 0.0 112.899 170.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -73.56 -21.66 60.3 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.4 mm -77.41 -37.78 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 124.013 0.925 . . . . 0.0 112.653 170.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -53.76 -28.31 33.87 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.884 1.22 . . . . 0.0 112.321 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 69.8 mtm -58.28 -49.32 77.56 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.05 0.94 . . . . 0.0 113.062 170.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 33.7 mtm -71.99 -36.84 69.88 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.182 0.993 . . . . 0.0 111.398 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -62.47 -51.3 68.01 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.247 0.476 . . . . 0.0 112.125 175.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 t -68.15 -30.44 69.56 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 117.736 -1.126 . . . . 0.0 112.544 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 -58.89 -47.03 86.42 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.432 1.469 . . . . 0.0 111.617 167.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.4 m -60.31 -41.54 93.67 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.066 0.848 . . . . 0.0 112.222 174.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.403 ' HE2' ' HA ' ' A' ' 72' ' ' LYS . 10.9 mmpt? -65.26 -40.11 93.53 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.323 0.965 . . . . 0.0 112.48 176.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.7 t -66.09 -45.73 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.312 1.045 . . . . 0.0 111.415 176.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -65.51 -38.2 89.0 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.991 0.916 . . . . 0.0 111.975 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -59.84 -44.96 93.81 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 124.438 1.095 . . . . 0.0 111.652 169.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.62 -46.96 87.56 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.434 1.016 . . . . 0.0 111.853 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.7 t -59.54 -47.46 90.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 O-C-N 121.597 -0.689 . . . . 0.0 110.687 174.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.0 t -62.92 -34.15 76.84 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.012 0.925 . . . . 0.0 112.661 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -70.03 -41.58 74.07 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.836 1.254 . . . . 0.0 111.906 175.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -83.63 -16.33 45.6 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 -177.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -9.69 59.05 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 172.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? . . . . . 0 C--O 1.247 0.961 0 C-N-CA 124.268 1.027 . . . . 0.0 111.965 166.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 118.838 -0.601 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -60.83 -47.94 84.06 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -156.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.6 p -76.37 -23.07 54.12 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 120.282 -1.511 . . . . 0.0 113.752 176.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -68.33 -39.68 81.85 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.68 0.792 . . . . 0.0 112.235 170.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.2 ptt85 -74.48 -32.07 62.43 Favored 'General case' 0 N--CA 1.463 0.203 0 O-C-N 121.505 -0.747 . . . . 0.0 111.732 173.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -66.71 -45.01 80.12 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 118.273 0.488 . . . . 0.0 111.46 177.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -66.3 -38.38 87.6 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 119.2 -0.429 . . . . 0.0 111.213 174.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.32 -38.33 90.74 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -72.13 -42.11 66.38 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.828 0.74 . . . . 0.0 112.482 169.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -69.94 -25.94 63.89 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 118.091 -0.957 . . . . 0.0 113.175 -174.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -55.88 -64.62 0.79 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.575 1.55 . . . . 0.0 110.43 162.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.0 m -70.27 -24.46 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 121.583 -0.698 . . . . 0.0 112.716 -172.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.02 -35.97 77.24 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 117.818 -1.087 . . . . 0.0 112.836 168.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -40.54 76.23 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 120.973 1.715 . . . . 0.0 109.33 169.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -63.51 -48.81 76.06 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.961 0.905 . . . . 0.0 111.39 -172.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.0 t -61.34 -52.16 64.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 123.842 0.857 . . . . 0.0 111.198 175.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -68.26 -28.21 67.01 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 120.391 1.45 . . . . 0.0 113.098 -177.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -72.23 -49.24 36.75 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.855 1.262 . . . . 0.0 110.278 175.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.9 mm -69.78 -28.95 38.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 123.79 0.836 . . . . 0.0 111.455 -177.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.9 t -56.8 -48.69 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-N 119.293 0.951 . . . . 0.0 110.788 163.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.08 -47.27 91.03 Favored Glycine 0 CA--C 1.533 1.218 0 CA-C-N 118.746 0.703 . . . . 0.0 113.601 175.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -61.74 -31.28 71.45 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.503 -0.998 . . . . 0.0 112.293 175.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.8 p -69.37 -43.75 72.92 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 121.545 -0.722 . . . . 0.0 112.121 175.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -67.6 -36.17 80.36 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.495 0.589 . . . . 0.0 111.956 173.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -26.12 66.06 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.485 0.921 . . . . 0.0 113.485 174.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 pttp -108.38 14.25 24.93 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 174.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.8 p -84.88 171.94 11.8 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.626 1.17 . . . . 0.0 113.325 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.3 p -142.31 160.15 40.83 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.673 1.189 . . . . 0.0 110.336 166.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -51.47 -38.31 53.16 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.324 1.05 . . . . 0.0 111.825 167.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -68.18 -32.46 72.73 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.912 2.485 . . . . 0.0 113.313 -178.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.4 mmm-85 -117.11 26.95 9.42 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.781 1.632 . . . . 0.0 112.443 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -57.77 -39.31 77.16 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.539 -0.726 . . . . 0.0 112.023 -176.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.4 m -48.95 -43.22 39.58 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.589 1.556 . . . . 0.0 113.638 173.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.7 mm -65.95 -40.58 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 124.176 0.991 . . . . 0.0 110.353 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.5 m -68.73 -46.16 69.64 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.035 0.934 . . . . 0.0 109.837 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.1 t -56.44 -48.77 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.239 1.016 . . . . 0.0 111.094 173.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.87 -46.05 89.7 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.108 0.867 . . . . 0.0 112.269 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.9 tp -58.69 -49.89 75.91 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.225 1.01 . . . . 0.0 111.842 174.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.03 -36.01 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 121.239 -0.913 . . . . 0.0 112.217 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -71.34 -27.34 63.3 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 176.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -83.85 -39.89 19.35 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.765 0.826 . . . . 0.0 112.397 173.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.2 mt -54.73 -42.91 72.14 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.648 -1.282 . . . . 0.0 112.39 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -74.66 -23.95 58.74 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.72 1.008 . . . . 0.0 113.72 177.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -63.23 -46.51 86.63 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.44 1.896 . . . . 0.0 110.92 173.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.6 mt -60.0 -41.49 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.68 0.792 . . . . 0.0 109.59 172.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -56.3 -45.25 80.32 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 118.355 -0.831 . . . . 0.0 111.65 177.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -62.02 -52.52 63.65 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.282 0.946 . . . . 0.0 112.003 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -58.62 -39.46 80.55 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.05 0.94 . . . . 0.0 112.044 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -87.19 -29.88 21.42 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 118.378 -0.82 . . . . 0.0 112.632 -178.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.8 mt -55.57 -42.1 74.24 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 120.426 1.466 . . . . 0.0 112.04 169.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -61.46 -49.09 78.22 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.875 0.87 . . . . 0.0 111.492 172.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -62.84 -32.81 74.1 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.185 -0.947 . . . . 0.0 111.959 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 76.2 mt -74.25 -32.7 32.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 C-N-CA 125.03 1.332 . . . . 0.0 111.746 178.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.9 p -78.72 -31.8 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 O-C-N 120.227 -1.546 . . . . 0.0 112.91 169.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -81.55 -3.27 52.76 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.2 m -74.12 132.87 42.67 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 124.352 1.061 . . . . 0.0 113.202 -174.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.9 p -96.51 -4.99 40.46 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.179 1.392 . . . . 0.0 114.229 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.1 m -137.12 135.31 37.3 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.632 1.173 . . . . 0.0 112.737 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 56.9 mp0 -53.08 -35.1 59.22 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.521 1.128 . . . . 0.0 112.599 165.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.0 t -56.67 -59.92 4.31 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.718 0.807 . . . . 0.0 112.193 176.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -64.83 -32.19 73.77 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.417 -0.802 . . . . 0.0 111.915 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 39.8 mt -56.59 -43.39 80.02 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.036 0.834 . . . . 0.0 112.616 175.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -66.08 -41.95 90.03 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.366 0.53 . . . . 0.0 111.419 175.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.5 mm -69.15 -32.29 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 O-C-N 120.696 -1.253 . . . . 0.0 112.251 -177.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.2 mt -59.02 -28.66 66.61 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.103 0.865 . . . . 0.0 113.123 173.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 32.0 mtm -62.61 -54.23 42.72 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 118.856 0.753 . . . . 0.0 110.546 168.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 31.5 mtm -66.11 -34.51 78.21 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.127 0.971 . . . . 0.0 112.768 -176.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -68.28 -47.36 67.87 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.774 1.229 . . . . 0.0 112.232 172.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.8 t -61.12 -43.8 98.33 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.683 -0.636 . . . . 0.0 110.913 175.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.2 mtp85 -60.87 -44.74 96.63 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.728 1.611 . . . . 0.0 112.456 175.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.9 m -57.76 -40.69 80.35 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.902 0.881 . . . . 0.0 111.608 175.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -76.81 -26.63 54.63 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 177.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.1 t -67.96 -49.56 67.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 123.989 0.915 . . . . 0.0 110.944 168.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -63.52 -36.5 83.98 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.023 0.929 . . . . 0.0 111.975 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -63.2 -50.25 71.02 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 118.352 -0.832 . . . . 0.0 111.008 168.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.65 -47.01 80.71 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 120.075 1.307 . . . . 0.0 111.346 -177.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.7 t -53.27 -58.18 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.22 0.608 . . . . 0.0 110.171 172.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.5 m -65.72 -30.79 71.51 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.934 1.294 . . . . 0.0 113.348 -171.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -73.87 -32.07 63.45 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 128.48 2.712 . . . . 0.0 112.546 174.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -84.95 -7.06 59.31 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 169.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -71.74 -6.61 42.58 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 119.865 -1.772 . . . . 0.0 114.618 172.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.031 0 C-N-CA 125.451 1.5 . . . . 0.0 114.352 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.663 0.268 . . . . 0.0 111.49 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.63 -47.74 84.89 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.341 1.856 . . . . 0.0 110.908 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 p -66.18 -17.93 65.03 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 126.603 1.961 . . . . 0.0 114.319 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -89.58 -46.64 8.52 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 124.101 0.96 . . . . 0.0 111.462 174.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -69.51 -26.24 64.44 Favored 'General case' 0 C--N 1.332 -0.169 0 O-C-N 121.713 -0.617 . . . . 0.0 112.593 -178.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -60.58 -39.51 88.3 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.827 0.739 . . . . 0.0 112.164 171.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -66.01 -42.22 89.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 122.489 0.316 . . . . 0.0 110.858 175.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.75 92.65 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -65.7 -35.19 80.06 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 121.047 -1.033 . . . . 0.0 112.196 173.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -62.42 -46.4 88.72 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.978 0.808 . . . . 0.0 110.905 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -57.33 -46.53 83.18 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.923 0.783 . . . . 0.0 112.631 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.6 m -73.54 -30.06 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -62.0 -47.67 83.74 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.925 0.89 . . . . 0.0 111.601 169.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -61.46 -48.07 82.8 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.329 1.051 . . . . 0.0 112.473 175.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -64.6 -42.8 95.34 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.542 0.61 . . . . 0.0 111.666 -176.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.7 t -63.47 -50.82 76.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 O-C-N 121.552 -0.718 . . . . 0.0 110.942 174.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -72.8 -25.61 61.21 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.78 1.173 . . . . 0.0 114.009 -174.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -60.35 -46.77 88.74 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.552 1.141 . . . . 0.0 109.582 168.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.6 mt -80.01 -26.36 12.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 124.009 0.924 . . . . 0.0 111.763 -172.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.4 t -58.45 -49.68 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 CA-C-N 119.343 0.974 . . . . 0.0 111.188 161.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.15 -42.34 99.47 Favored Glycine 0 CA--C 1.535 1.282 0 O-C-N 121.464 -0.772 . . . . 0.0 113.413 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -74.25 -19.35 60.54 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 176.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.9 t -66.82 -51.57 54.09 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.383 1.073 . . . . 0.0 110.677 169.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -59.71 -24.54 64.06 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 171.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.49 -13.97 59.79 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -116.1 -28.94 6.44 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.4 p -77.14 -179.55 5.67 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.669 1.122 . . . . 0.0 112.412 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 t -132.47 153.43 50.89 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.281 1.432 . . . . 0.0 109.487 167.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -62.89 -17.86 62.22 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 173.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -12.73 61.34 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 168.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -129.26 31.96 4.77 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 127.11 2.164 . . . . 0.0 111.158 170.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -47.43 -38.75 14.04 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.175 1.39 . . . . 0.0 112.299 -172.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -39.71 -42.43 1.24 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 129.521 3.128 . . . . 0.0 114.487 173.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 50.2 mm -68.97 -48.19 71.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.139 0.976 . . . . 0.0 110.226 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -49.01 77.89 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.203 1.001 . . . . 0.0 111.594 175.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.8 p -72.06 -35.4 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 118.745 -0.645 . . . . 0.0 112.28 -175.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.48 93.18 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.579 1.081 . . . . 0.0 111.746 173.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 tp -64.59 -40.76 96.11 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.309 0.644 . . . . 0.0 111.936 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 50.5 t -63.95 -40.62 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 O-C-N 120.922 -1.111 . . . . 0.0 111.871 173.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -62.76 -32.61 73.79 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.366 1.066 . . . . 0.0 112.357 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -85.84 -39.98 16.48 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.164 0.893 . . . . 0.0 113.023 171.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -51.07 -43.19 60.97 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.403 -1.435 . . . . 0.0 112.587 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -77.62 -23.81 49.72 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 176.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -68.51 -49.42 59.76 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.812 1.245 . . . . 0.0 110.16 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.2 mt -54.85 -46.79 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 124.112 0.965 . . . . 0.0 109.506 172.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -62.78 -43.65 98.25 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 118.667 -0.683 . . . . 0.0 112.203 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.75 -44.69 82.0 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.092 0.957 . . . . 0.0 112.204 175.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -71.49 -48.54 48.47 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.544 0.738 . . . . 0.0 110.968 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.417 ' CD2' ' HB2' ' A' ' 69' ' ' SER . 6.4 m-85 -68.38 -35.76 78.16 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-O 117.421 -1.276 . . . . 0.0 112.164 -177.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.6 mt -55.4 -44.98 76.66 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.402 1.455 . . . . 0.0 112.107 170.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -61.63 -37.48 84.14 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.134 0.425 . . . . 0.0 111.208 174.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -74.94 -14.47 60.64 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.368 1.067 . . . . 0.0 113.211 175.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.5 mm -75.74 -54.56 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-N 120.388 1.449 . . . . 0.0 109.999 168.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.7 p -66.95 -25.49 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 O-C-N 121.477 -0.765 . . . . 0.0 112.071 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -110.13 25.12 12.14 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.532 1.533 . . . . 0.0 113.076 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -67.76 150.59 48.46 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.39 -0.819 . . . . 0.0 112.038 169.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.3 p -117.14 -10.35 10.86 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -168.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.5 m -145.01 151.24 38.26 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.234 1.414 . . . . 0.0 110.65 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -71.68 -33.68 69.03 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.258 -0.901 . . . . 0.0 112.402 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.9 p -67.82 -40.75 83.76 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.638 1.175 . . . . 0.0 111.919 170.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -59.33 -37.5 77.96 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.038 0.935 . . . . 0.0 111.828 177.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.9 mt -57.68 -35.77 71.03 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 173.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -66.62 -47.64 71.99 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.915 0.78 . . . . 0.0 111.163 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.6 mm -71.75 -31.17 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 120.831 -1.168 . . . . 0.0 111.875 -171.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -48.34 -34.86 11.33 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.634 1.174 . . . . 0.0 113.065 168.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 31.3 mtm -68.63 -49.63 57.65 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.321 0.648 . . . . 0.0 112.255 176.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -68.37 -37.03 80.04 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.634 0.773 . . . . 0.0 111.722 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -67.26 -42.89 83.15 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.095 -1.003 . . . . 0.0 111.793 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.417 ' HB2' ' CD2' ' A' ' 49' ' ' TYR . 2.6 t -63.46 -39.7 95.16 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.273 0.942 . . . . 0.0 112.673 170.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -58.17 -45.75 86.94 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.984 1.265 . . . . 0.0 111.336 174.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.9 t -66.75 -34.7 78.42 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 175.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -62.74 -40.36 96.99 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 120.866 -1.146 . . . . 0.0 112.035 169.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.2 t -70.89 -37.1 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 118.542 0.61 . . . . 0.0 111.167 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -59.62 -41.05 89.56 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.83 0.741 . . . . 0.0 112.238 170.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -62.84 -43.21 99.41 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.381 0.991 . . . . 0.0 111.299 172.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.29 -45.43 94.51 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.507 -0.745 . . . . 0.0 111.856 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 72.3 t -61.57 -52.46 60.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.359 -0.838 . . . . 0.0 110.694 174.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.3 p -60.93 -41.43 96.21 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 121.717 -0.614 . . . . 0.0 111.902 -175.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -77.59 -3.99 43.58 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.817 2.047 . . . . 0.0 115.047 178.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -118.91 -9.21 10.14 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 168.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.99 -23.0 66.49 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 120.866 -1.146 . . . . 0.0 113.225 172.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.147 0 C-N-CA 126.981 2.112 . . . . 0.0 111.665 170.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.95 -60.61 2.91 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 127.146 2.179 . . . . 0.0 114.914 -178.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -60.58 -31.52 70.66 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.488 1.04 . . . . 0.0 112.759 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -68.33 -49.66 58.75 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.883 1.673 . . . . 0.0 111.847 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.3 ptt85 -68.1 -22.27 64.92 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -71.74 -53.22 14.15 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.086 0.554 . . . . 0.0 111.401 170.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -62.57 -36.29 82.22 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 120.893 -1.129 . . . . 0.0 112.608 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.69 80.67 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.287 1.035 . . . . 0.0 112.717 172.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.9 ptt85 -69.32 -34.53 74.81 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.272 -0.893 . . . . 0.0 112.44 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -67.9 -38.86 83.53 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.133 -0.937 . . . . 0.0 112.034 177.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -57.08 -43.16 81.87 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.157 0.89 . . . . 0.0 112.131 176.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.6 m -74.91 -25.63 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -66.61 -44.56 81.79 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.569 1.077 . . . . 0.0 111.984 165.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -57.73 -47.89 81.14 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.691 1.132 . . . . 0.0 112.741 174.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -65.49 -42.17 92.48 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.266 0.484 . . . . 0.0 111.766 -178.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.3 t -57.04 -45.47 83.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 O-C-N 121.383 -0.823 . . . . 0.0 111.095 169.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -65.16 -37.1 86.31 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 120.506 1.503 . . . . 0.0 113.412 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -61.77 -51.66 67.42 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.198 0.599 . . . . 0.0 110.53 172.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.6 mm -69.9 -32.07 50.38 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 124.763 1.225 . . . . 0.0 111.452 -174.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.1 t -59.42 -45.05 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.886 1.275 . . . . 0.0 110.816 167.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.9 -44.19 97.79 Favored Glycine 0 CA--C 1.532 1.131 0 CA-C-N 118.739 0.7 . . . . 0.0 113.089 174.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -67.58 -30.43 70.05 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.447 -1.031 . . . . 0.0 112.436 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.9 t -65.42 -30.15 70.92 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.513 1.525 . . . . 0.0 113.038 171.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -75.95 -41.52 51.34 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.286 -0.884 . . . . 0.0 112.094 166.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.93 -35.07 79.46 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -175.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.421 ' HZ1' ' CD ' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -81.14 -22.24 39.18 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 178.728 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.6 p -88.97 -159.08 0.54 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.786 1.234 . . . . 0.0 111.889 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.5 m -154.24 152.14 29.97 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.716 2.006 . . . . 0.0 107.28 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -52.57 -42.66 64.67 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 120.49 1.495 . . . . 0.0 113.101 -174.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -60.74 -20.07 60.44 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 175.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -107.58 17.36 22.77 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.426 1.89 . . . . 0.0 112.854 176.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -52.08 -36.22 50.08 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -172.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.7 m -56.54 -31.15 63.87 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.146 0.884 . . . . 0.0 112.961 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.9 mm -66.11 -49.22 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 119.18 0.9 . . . . 0.0 110.705 175.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.8 m -61.01 -49.04 79.02 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 123.339 0.656 . . . . 0.0 110.454 175.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.91 -36.03 69.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 123.879 0.872 . . . . 0.0 111.48 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.65 -47.39 66.66 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.251 0.932 . . . . 0.0 112.877 173.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.6 tp -64.2 -38.69 91.94 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.326 -0.859 . . . . 0.0 111.889 175.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.5 t -62.84 -39.55 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.239 1.416 . . . . 0.0 111.312 174.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -62.06 -42.67 99.43 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.135 0.425 . . . . 0.0 111.843 172.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -65.67 -47.3 75.96 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.403 0.547 . . . . 0.0 110.947 177.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.1 mt -54.08 -44.34 71.1 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.654 1.181 . . . . 0.0 112.281 175.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -67.8 -27.01 66.37 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 174.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -81.51 -36.67 28.94 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.948 1.249 . . . . 0.0 111.468 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 52.6 mt -61.05 -46.75 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 166.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -52.14 -50.08 62.43 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.162 0.585 . . . . 0.0 110.902 173.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.12 -52.01 67.55 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.185 1.394 . . . . 0.0 113.846 177.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -66.27 -36.56 83.3 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.228 0.467 . . . . 0.0 110.894 -177.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -78.58 -32.54 47.73 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 118.28 -0.867 . . . . 0.0 112.812 176.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.3 mt -53.92 -45.13 71.08 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.299 1.408 . . . . 0.0 110.924 166.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -63.82 -49.95 70.84 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.25 0.62 . . . . 0.0 111.768 173.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -67.45 -26.66 66.51 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.364 0.983 . . . . 0.0 112.824 -174.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.5 mt -82.08 -44.39 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 125.266 1.426 . . . . 0.0 110.765 176.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.2 t -70.4 -28.54 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 O-C-N 120.914 -1.116 . . . . 0.0 112.294 177.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -79.83 -7.92 58.98 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.098 -1.001 . . . . 0.0 113.514 173.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 t -81.9 175.28 10.53 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 120.93 -1.106 . . . . 0.0 113.27 -178.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -142.73 -38.89 0.35 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.79 1.636 . . . . 0.0 112.401 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.42 ' C ' ' H ' ' A' ' 60' ' ' SER . 16.2 m -76.95 119.54 20.83 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.99 0.916 . . . . 0.0 112.189 -172.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -71.72 31.73 0.05 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.59 1.556 . . . . 0.0 113.564 174.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 58' ' ' SER . 1.7 t -127.32 -56.94 1.31 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.794 2.038 . . . . 0.0 108.396 171.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -64.71 -33.24 75.48 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.49 -1.381 . . . . 0.0 112.907 173.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.3 mt -53.33 -34.85 59.11 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.61 0.764 . . . . 0.0 112.092 169.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -78.26 -44.68 24.84 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.242 0.617 . . . . 0.0 110.515 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.0 mm -66.82 -31.04 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 120.964 -1.085 . . . . 0.0 112.157 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.0 mt -54.68 -28.34 46.87 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 173.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 50.1 mtm -65.83 -49.12 69.33 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.15 0.886 . . . . 0.0 111.885 170.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -69.77 -32.48 71.0 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.521 1.129 . . . . 0.0 112.502 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -65.87 -45.54 81.7 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.762 0.825 . . . . 0.0 111.546 169.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.6 m -61.68 -43.31 99.1 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.139 0.427 . . . . 0.0 111.173 176.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -53.59 -52.23 60.48 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.872 1.669 . . . . 0.0 111.617 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.5 t -65.52 -38.3 89.27 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -73.82 -30.88 62.95 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.7 t -66.15 -46.66 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.856 1.263 . . . . 0.0 110.742 167.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.69 -36.78 85.39 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.51 0.724 . . . . 0.0 112.425 177.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.98 -45.37 89.37 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.005 0.922 . . . . 0.0 111.514 171.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.41 -47.93 80.44 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.551 0.614 . . . . 0.0 111.231 174.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -57.65 -55.55 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 123.624 0.77 . . . . 0.0 110.721 175.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.5 t -75.33 -14.63 60.5 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -172.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -77.87 -27.59 49.77 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.757 2.023 . . . . 0.0 113.003 166.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -95.39 -37.57 10.89 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.917 0.887 . . . . 0.0 113.166 177.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.421 ' CD ' ' HZ1' ' A' ' 26' ' ' LYS . 1.7 pt-20 -86.01 3.64 41.38 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -175.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt . . . . . 0 C--O 1.25 1.131 0 C-N-CA 126.925 2.09 . . . . 0.0 110.764 176.768 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 60.7 tp . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -70.66 -38.3 73.78 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.738 1.215 . . . . 0.0 112.919 -170.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 p -58.92 -20.25 50.14 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.391 1.076 . . . . 0.0 113.437 166.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.75 -35.78 16.5 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.512 1.125 . . . . 0.0 113.023 174.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 -69.65 -29.52 67.0 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 121.422 -0.798 . . . . 0.0 112.241 174.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -65.12 -44.03 90.05 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.337 0.517 . . . . 0.0 111.831 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -68.19 -37.71 81.23 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.736 -0.603 . . . . 0.0 111.849 172.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.05 -44.42 95.92 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -63.27 -40.53 97.66 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.999 0.818 . . . . 0.0 110.967 174.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -66.68 -43.96 83.08 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 117.712 -1.137 . . . . 0.0 111.613 -177.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -58.34 -44.51 88.74 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.546 1.138 . . . . 0.0 111.689 178.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.3 m -80.34 -30.59 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 121.577 -0.702 . . . . 0.0 112.858 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -63.19 -49.54 73.84 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.9 1.28 . . . . 0.0 111.81 169.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -67.47 -35.44 79.17 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 118.681 0.673 . . . . 0.0 111.366 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -68.91 -47.12 66.57 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.725 1.148 . . . . 0.0 111.554 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.4 t -61.95 -42.73 95.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 O-C-N 121.176 -0.952 . . . . 0.0 111.151 173.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -59.54 -48.12 82.88 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 119.933 1.242 . . . . 0.0 111.929 174.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -53.15 61.25 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.301 1.441 . . . . 0.0 108.928 -178.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.6 mm -61.11 -47.75 92.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 124.638 1.175 . . . . 0.0 111.712 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 39.1 t -60.39 -41.88 88.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 CA-C-N 118.763 0.71 . . . . 0.0 110.727 175.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.65 -34.89 90.93 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 123.901 0.762 . . . . 0.0 114.21 174.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -75.72 -39.18 57.76 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.003 1.402 . . . . 0.0 112.482 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.1 m -64.48 -35.73 81.9 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.125 -0.984 . . . . 0.0 111.693 172.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -71.0 -24.69 62.44 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 168.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.65 -34.97 58.25 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.431 1.014 . . . . 0.0 112.787 175.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -97.7 -18.41 18.87 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -172.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.5 t -77.9 140.79 39.32 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.645 1.111 . . . . 0.0 113.261 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.3 m -80.08 147.98 31.22 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.074 0.95 . . . . 0.0 110.482 165.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -45.7 -43.94 13.15 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.417 1.487 . . . . 0.0 114.136 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -60.5 -19.68 57.69 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 127.301 2.24 . . . . 0.0 113.801 -177.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -120.16 12.13 11.77 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.499 1.919 . . . . 0.0 113.397 -174.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -49.87 -33.02 15.78 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.053 -1.029 . . . . 0.0 113.006 175.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.0 m -46.72 -34.61 5.31 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.993 2.117 . . . . 0.0 114.4 174.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.1 mm -79.88 -37.44 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 123.922 0.889 . . . . 0.0 110.638 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.5 p -63.81 -46.73 83.83 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.465 -0.772 . . . . 0.0 111.621 174.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.2 p -64.07 -33.09 60.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 118.545 -0.74 . . . . 0.0 112.57 176.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.46 -49.67 74.51 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.758 1.163 . . . . 0.0 111.666 170.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.6 tp -61.13 -34.39 74.9 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.073 0.949 . . . . 0.0 112.348 175.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 75.7 t -70.26 -42.84 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 119.965 1.257 . . . . 0.0 111.671 174.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -59.15 -33.93 71.48 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.492 0.717 . . . . 0.0 111.757 174.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -74.68 -53.93 8.35 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.421 1.088 . . . . 0.0 112.231 172.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.0 mt -61.03 -40.69 94.57 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.13 1.372 . . . . 0.0 113.745 -173.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -65.19 -28.3 69.29 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 118.641 -0.695 . . . . 0.0 111.995 174.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -77.79 -42.2 34.75 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.666 0.787 . . . . 0.0 111.169 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.2 mt -57.43 -47.16 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 168.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -58.36 -53.98 52.13 Favored 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 122.743 0.417 . . . . 0.0 111.541 177.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -51.74 -51.17 58.17 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.265 1.826 . . . . 0.0 112.263 178.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -66.88 -44.65 80.36 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.821 0.448 . . . . 0.0 111.947 -178.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -74.92 -28.87 60.79 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 118.194 -0.908 . . . . 0.0 111.881 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 39.3 mt -62.7 -43.32 99.11 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 120.293 1.406 . . . . 0.0 111.827 168.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -58.01 -38.31 75.92 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 118.603 0.638 . . . . 0.0 110.734 172.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -76.4 -11.75 59.94 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.096 1.359 . . . . 0.0 113.384 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 58.0 mt -93.81 -45.18 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.657 1.583 . . . . 0.0 110.924 175.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -66.42 -34.9 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 121.308 -0.87 . . . . 0.0 111.616 175.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -100.45 14.48 31.05 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 176.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.4 132.74 46.84 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.031 -1.043 . . . . 0.0 111.493 168.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.8 p -92.78 -5.13 51.81 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.14 1.376 . . . . 0.0 114.149 173.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 m -136.99 119.48 15.9 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.791 1.178 . . . . 0.0 113.36 -170.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -57.92 -35.74 71.49 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 121.04 -1.037 . . . . 0.0 112.564 169.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.3 p -65.43 -17.42 64.53 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.545 1.938 . . . . 0.0 115.036 176.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -102.62 -36.7 8.25 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.034 1.333 . . . . 0.0 111.48 172.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.1 mt -53.44 -42.08 66.76 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.812 1.245 . . . . 0.0 112.597 173.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -62.3 -21.97 65.66 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 177.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.6 mm -95.0 -34.08 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 124.914 1.286 . . . . 0.0 112.697 176.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.2 mt -55.09 -30.24 59.29 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.308 0.958 . . . . 0.0 112.383 175.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 38.0 mtm -58.51 -51.68 68.83 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.948 0.899 . . . . 0.0 113.182 168.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 14.4 mmt -70.01 -42.8 72.55 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.756 1.222 . . . . 0.0 110.882 -175.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -56.74 -48.31 78.09 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.372 1.069 . . . . 0.0 111.208 172.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.1 m -62.23 -43.62 98.41 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.823 -0.548 . . . . 0.0 111.338 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -65.44 -39.15 91.72 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.7 1.2 . . . . 0.0 113.358 -178.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.0 t -60.79 -52.5 64.8 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.49 1.116 . . . . 0.0 111.104 169.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -69.29 -29.9 67.87 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -174.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 26.2 t -66.04 -50.43 69.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.356 1.062 . . . . 0.0 111.223 171.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -61.49 -38.68 88.21 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.769 0.713 . . . . 0.0 112.052 176.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -61.98 -48.55 79.84 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 118.912 -0.566 . . . . 0.0 111.752 173.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.63 -40.6 88.16 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.107 0.867 . . . . 0.0 112.08 177.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.24 -52.4 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.246 1.018 . . . . 0.0 111.134 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.0 t -67.01 -40.4 87.28 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 117.991 0.359 . . . . 0.0 111.48 -177.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -52.15 -41.39 62.52 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.448 1.499 . . . . 0.0 112.278 170.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -83.34 -30.24 27.64 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.436 1.272 . . . . 0.0 114.436 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -95.08 0.78 54.69 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -178.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.2 mttm . . . . . 0 N--CA 1.48 1.068 0 C-N-CA 126.982 2.113 . . . . 0.0 113.512 176.899 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.1 mp . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 119.139 -0.458 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -47.52 -47.33 27.85 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 127.411 2.285 . . . . 0.0 112.937 165.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 p -55.41 -37.44 67.63 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.996 1.318 . . . . 0.0 113.087 169.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -72.7 -44.63 61.5 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.356 1.462 . . . . 0.0 113.034 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -73.61 -28.44 61.81 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 118.743 -0.646 . . . . 0.0 111.8 178.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -66.61 -46.19 76.69 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 118.981 0.81 . . . . 0.0 110.779 167.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -55.24 -45.94 76.02 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.59 0.632 . . . . 0.0 111.47 174.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.27 -44.02 97.49 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.626 0.77 . . . . 0.0 112.834 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -69.12 -37.47 78.35 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.874 -1.141 . . . . 0.0 113.128 173.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -63.62 -37.65 88.15 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.437 1.017 . . . . 0.0 111.224 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -61.9 -48.39 80.69 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.062 0.945 . . . . 0.0 112.366 173.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.6 m -75.84 -28.77 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 O-C-N 120.694 -1.254 . . . . 0.0 113.098 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.0 -54.51 46.12 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.751 1.22 . . . . 0.0 110.343 168.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -65.31 -36.28 83.58 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -68.72 -45.68 70.91 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.583 0.629 . . . . 0.0 111.256 -179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.45 -48.4 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 121.285 -0.884 . . . . 0.0 111.107 176.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.41 -28.7 68.13 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.781 1.173 . . . . 0.0 112.99 178.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -63.52 -50.07 71.03 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 118.965 0.802 . . . . 0.0 109.915 169.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.2 mm -69.59 -28.02 36.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 123.299 0.64 . . . . 0.0 111.889 -175.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.3 t -57.83 -50.89 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 CA-C-N 119.528 1.058 . . . . 0.0 110.809 164.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.23 -44.35 97.18 Favored Glycine 0 CA--C 1.535 1.328 0 O-C-N 121.77 -0.581 . . . . 0.0 113.367 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -67.97 -22.37 65.03 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.347 -1.09 . . . . 0.0 113.398 176.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.3 t -74.3 -49.48 22.86 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.577 0.751 . . . . 0.0 110.946 168.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -60.14 -27.79 67.37 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 174.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.71 -33.42 75.83 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 172.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -105.6 -8.93 17.67 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.9 p -87.06 -171.22 3.41 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.475 1.11 . . . . 0.0 111.066 164.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 t -157.58 162.6 38.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.943 1.697 . . . . 0.0 109.435 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -45.98 -38.2 7.44 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.919 0.887 . . . . 0.0 112.733 168.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -66.43 -15.72 63.54 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.935 1.294 . . . . 0.0 114.126 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 71.5 mtt-85 -135.37 26.82 3.46 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 127.111 2.165 . . . . 0.0 111.477 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -52.91 -36.97 60.22 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.036 0.934 . . . . 0.0 112.126 -175.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.22 -34.93 66.76 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 128.438 2.695 . . . . 0.0 112.782 178.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.1 mm -65.08 -47.54 87.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.155 0.982 . . . . 0.0 110.298 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -42.26 98.5 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.606 0.762 . . . . 0.0 111.762 175.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 70.0 t -61.5 -47.26 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-N 119.047 0.84 . . . . 0.0 111.377 175.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.31 -35.64 80.9 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.9 tp -73.03 -35.09 66.69 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.486 -0.759 . . . . 0.0 112.407 174.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 37.7 t -59.0 -38.76 75.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 CA-C-N 119.847 1.203 . . . . 0.0 111.365 173.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -59.08 -41.61 88.45 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 175.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -75.49 -45.92 35.5 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.322 1.049 . . . . 0.0 111.08 175.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.5 mt -50.21 -44.3 53.07 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.712 -1.243 . . . . 0.0 112.326 177.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -81.17 -22.34 39.04 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -61.33 -46.64 89.42 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.618 1.167 . . . . 0.0 110.026 170.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.5 mt -64.74 -43.57 96.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 123.889 0.875 . . . . 0.0 110.113 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -61.38 -46.21 91.13 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.445 -0.784 . . . . 0.0 112.091 175.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -60.15 -45.57 92.61 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.207 1.803 . . . . 0.0 112.393 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -62.47 -52.51 63.22 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.628 1.171 . . . . 0.0 111.838 174.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -74.48 -28.24 60.93 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 118.089 -0.958 . . . . 0.0 112.299 -173.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.6 mt -56.63 -36.51 69.57 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 120.257 1.39 . . . . 0.0 112.41 167.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.95 -36.66 82.72 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.969 0.804 . . . . 0.0 111.146 175.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -67.4 -35.37 79.15 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.132 0.973 . . . . 0.0 111.851 173.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.8 mm -60.3 -52.0 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 119.116 0.871 . . . . 0.0 111.359 172.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -80.97 -21.31 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -171.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -76.3 -22.95 54.38 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 120.879 -1.138 . . . . 0.0 112.832 169.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 t -79.21 145.86 33.38 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 122.294 1.045 . . . . 0.0 113.308 -176.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -131.23 39.63 3.52 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.638 1.575 . . . . 0.0 109.779 162.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.0 m -136.24 105.67 6.08 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 119.956 -1.715 . . . . 0.0 111.666 -175.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.47 -36.43 78.26 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.178 1.391 . . . . 0.0 114.742 -170.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.2 p -64.01 -55.1 24.78 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 119.018 0.826 . . . . 0.0 111.544 174.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.8 mp0 -60.41 -38.37 83.81 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.692 0.678 . . . . 0.0 112.066 178.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.7 mt -56.15 -41.19 75.03 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.645 0.778 . . . . 0.0 112.694 172.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -70.83 -39.04 73.24 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.359 0.527 . . . . 0.0 112.127 176.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.7 mm -69.46 -32.98 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 119.922 1.237 . . . . 0.0 112.008 177.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.5 mt -56.19 -28.04 56.78 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.029 0.832 . . . . 0.0 113.059 175.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 42.6 mtm -60.93 -52.45 64.98 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.373 0.533 . . . . 0.0 110.738 170.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -68.15 -38.31 81.98 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.785 1.234 . . . . 0.0 112.678 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.36 -43.21 99.26 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.612 0.765 . . . . 0.0 111.671 173.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.6 p -65.43 -39.96 92.74 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.68 -0.637 . . . . 0.0 111.675 175.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -59.63 -42.42 92.69 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.462 1.505 . . . . 0.0 112.095 177.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.2 m -55.62 -49.58 72.46 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.568 0.747 . . . . 0.0 111.979 172.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -64.49 -36.92 85.75 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.462 0.574 . . . . 0.0 112.291 176.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.0 t -69.66 -47.16 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.573 0.749 . . . . 0.0 112.207 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -73.43 -30.85 63.49 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.695 -0.628 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.16 -46.49 88.25 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 120.582 -1.324 . . . . 0.0 111.175 164.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.66 -37.36 81.27 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 118.846 0.748 . . . . 0.0 112.143 178.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.1 t -57.18 -60.22 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 119.732 1.151 . . . . 0.0 110.488 171.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.0 t -66.27 -30.86 71.38 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -174.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -62.27 -29.73 70.62 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.588 -1.32 . . . . 0.0 112.45 171.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -100.65 -12.25 19.34 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.776 1.23 . . . . 0.0 114.16 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -70.36 -17.48 63.05 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 120.22 1.373 . . . . 0.0 113.867 171.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.6 mtmp? . . . . . 0 C--O 1.253 1.26 0 CA-C-O 116.835 -1.555 . . . . 0.0 114.741 -164.723 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 N--CA 1.477 0.895 0 CA-C-O 120.891 0.377 . . . . 0.0 111.98 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.472 ' CG ' ' H ' ' A' ' 3' ' ' SER . 9.2 p-10 -98.35 -62.51 1.23 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 127.117 2.167 . . . . 0.0 110.142 175.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.472 ' H ' ' CG ' ' A' ' 2' ' ' ASP . 20.8 m -58.74 -32.98 69.73 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 124.758 1.223 . . . . 0.0 110.688 169.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -61.09 -38.74 87.35 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.963 1.305 . . . . 0.0 113.499 175.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -87.45 -26.73 23.1 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 121.904 -0.497 . . . . 0.0 112.034 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -68.65 -43.4 76.31 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 122.852 0.461 . . . . 0.0 110.735 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -39.78 94.38 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-O 119.028 -0.51 . . . . 0.0 111.832 172.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.88 -44.04 94.25 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 119.174 -0.441 . . . . 0.0 111.502 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.6 ptt85 -66.8 -44.2 81.89 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.662 0.664 . . . . 0.0 110.927 173.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -67.74 -36.16 80.06 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.317 0.962 . . . . 0.0 112.142 -172.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -57.42 -42.59 82.64 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.667 1.187 . . . . 0.0 111.919 172.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.0 m -83.23 -35.15 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 121.48 -0.762 . . . . 0.0 112.978 -178.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -59.68 -49.65 76.93 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.583 1.083 . . . . 0.0 112.248 168.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -69.05 -25.12 64.31 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -178.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.425 ' CD2' ' HG2' ' A' ' 70' ' ' ARG . 16.8 t80 -79.47 -47.02 16.35 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 172.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.6 t -59.34 -44.27 92.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-N 119.897 1.226 . . . . 0.0 111.193 176.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -64.81 -28.81 69.82 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 120.326 1.421 . . . . 0.0 113.169 176.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -74.94 -49.54 19.78 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.839 1.256 . . . . 0.0 109.294 -179.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.8 mm -63.37 -37.95 80.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 124.018 0.927 . . . . 0.0 111.431 175.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.0 t -63.33 -48.83 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 121.161 -0.962 . . . . 0.0 111.692 170.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.62 -38.05 95.77 Favored Glycine 0 CA--C 1.534 1.239 0 CA-C-N 119.72 1.146 . . . . 0.0 113.279 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -69.22 -28.88 66.75 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.391 1.476 . . . . 0.0 112.443 174.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 p -60.53 -34.06 73.57 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 120.78 -1.2 . . . . 0.0 112.267 175.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -69.52 -26.93 64.76 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 172.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.72 -40.11 61.49 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.839 0.856 . . . . 0.0 112.339 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.14 -6.14 59.37 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 176.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.9 m -107.63 160.35 15.76 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -172.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.8 m -97.63 147.73 24.02 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.691 1.996 . . . . 0.0 109.494 165.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -54.43 -41.29 69.21 Favored 'General case' 0 N--CA 1.484 1.266 0 O-C-N 120.669 -1.27 . . . . 0.0 112.343 172.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -68.0 4.11 1.32 Allowed 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.012 1.725 . . . . 0.0 114.62 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -123.76 20.19 9.34 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.331 2.252 . . . . 0.0 112.829 172.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -58.95 -15.95 15.44 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 m -55.37 -31.58 61.89 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.605 -1.309 . . . . 0.0 112.113 168.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.0 mt -74.4 -52.3 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.378 1.071 . . . . 0.0 110.377 175.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.3 p -64.51 -47.03 80.42 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.823 -0.548 . . . . 0.0 111.834 -177.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.1 t -62.14 -35.31 68.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.079 0.952 . . . . 0.0 111.902 178.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.45 -49.57 53.78 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 119.539 1.063 . . . . 0.0 112.126 173.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 67.4 tp -62.37 -36.42 82.24 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.528 0.731 . . . . 0.0 112.039 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.4 t -60.81 -45.49 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.616 1.166 . . . . 0.0 111.659 173.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -66.6 -36.21 82.05 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 177.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -69.34 -48.18 62.17 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 118.743 0.701 . . . . 0.0 111.633 174.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.9 mt -61.98 -33.63 74.66 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 120.852 -1.155 . . . . 0.0 112.509 177.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -63.45 -39.51 94.67 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 118.326 -0.845 . . . . 0.0 112.959 169.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -70.62 -44.24 67.64 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.437 1.017 . . . . 0.0 110.278 -176.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.59 -46.72 95.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 123.447 0.699 . . . . 0.0 110.421 175.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -57.26 -44.86 84.28 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.748 0.819 . . . . 0.0 111.775 174.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -71.35 -44.76 64.42 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.745 1.618 . . . . 0.0 112.725 -174.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -60.19 -49.82 76.12 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.485 -0.759 . . . . 0.0 111.071 171.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -71.79 -31.76 66.92 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 118.414 -0.803 . . . . 0.0 112.229 -175.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.4 mt -52.87 -45.69 67.58 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.825 1.193 . . . . 0.0 111.548 166.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -66.01 -41.11 91.45 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.766 0.712 . . . . 0.0 111.638 178.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -67.44 -20.1 65.45 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.022 0.929 . . . . 0.0 113.366 177.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.5 mt -93.34 -47.92 13.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 126.607 1.963 . . . . 0.0 111.064 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 p -64.19 -38.26 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 O-C-N 121.193 -0.942 . . . . 0.0 111.344 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.49 -4.04 58.11 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 177.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.62 133.55 53.79 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.268 1.027 . . . . 0.0 112.889 -163.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.2 t -104.47 1.32 29.84 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.235 1.414 . . . . 0.0 113.096 -167.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.7 m -138.7 115.23 10.54 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.735 1.614 . . . . 0.0 110.338 -169.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -67.24 -35.6 79.89 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -169.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.9 p -73.99 -35.12 64.41 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.436 -0.79 . . . . 0.0 112.815 173.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.74 -27.99 68.06 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.16 -0.963 . . . . 0.0 112.963 -175.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.8 mt -51.87 -38.76 57.31 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.139 0.976 . . . . 0.0 112.704 170.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -68.63 -43.64 75.91 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 117.792 0.269 . . . . 0.0 110.897 175.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.9 mm -67.35 -34.01 66.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 O-C-N 121.137 -0.977 . . . . 0.0 111.554 -176.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.1 mt -58.35 -29.15 65.73 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.746 -0.645 . . . . 0.0 112.672 172.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.3 mtm -65.7 -43.4 89.28 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.462 1.028 . . . . 0.0 111.29 171.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -75.01 -40.76 60.45 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.377 -0.827 . . . . 0.0 112.293 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -58.29 -53.46 58.09 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.786 0.721 . . . . 0.0 111.404 172.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.9 p -62.64 -36.8 83.98 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 122.361 -0.212 . . . . 0.0 111.506 -179.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.425 ' HG2' ' CD2' ' A' ' 15' ' ' TYR . 30.9 mtp-105 -66.39 -45.23 80.73 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.433 1.093 . . . . 0.0 112.874 176.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 m -57.75 -37.66 74.01 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 118.787 -0.625 . . . . 0.0 112.386 170.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -70.65 -36.62 73.49 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.091 0.957 . . . . 0.0 113.462 174.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.4 t -63.95 -44.1 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 119.347 0.976 . . . . 0.0 110.945 171.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -67.9 -28.77 67.79 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.456 0.702 . . . . 0.0 112.692 176.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -71.48 -40.21 70.39 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.144 1.378 . . . . 0.0 112.482 169.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.31 -42.91 96.55 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.503 -0.748 . . . . 0.0 110.644 171.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.9 t -60.07 -47.55 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.711 169.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.8 t -57.35 -27.25 62.09 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.67 1.188 . . . . 0.0 113.852 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -79.96 -57.29 3.71 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.372 1.469 . . . . 0.0 112.323 171.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -77.81 -11.78 59.92 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -171.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -73.62 -15.73 61.25 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 120.877 -1.139 . . . . 0.0 113.801 172.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.2 mttt . . . . . 0 C--O 1.246 0.879 0 C-N-CA 124.563 1.145 . . . . 0.0 114.019 -167.199 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.484 1.231 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -84.29 -56.27 3.73 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 120.777 1.626 . . . . 0.0 112.846 -164.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 p -67.02 -15.82 63.97 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.181 -1.574 . . . . 0.0 112.691 166.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -76.07 -41.1 51.59 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 169.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 ptp85 -64.06 -28.2 69.62 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.525 -0.734 . . . . 0.0 111.896 166.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -63.66 -38.54 91.49 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.784 0.834 . . . . 0.0 112.152 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -67.72 -43.65 79.51 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.911 -0.493 . . . . 0.0 111.429 171.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.16 -38.14 89.61 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -178.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -67.21 -37.59 83.89 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.322 -0.862 . . . . 0.0 111.977 171.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -65.28 -39.02 92.03 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.993 0.917 . . . . 0.0 112.27 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -57.19 -47.0 82.35 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.721 1.209 . . . . 0.0 112.278 174.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.5 m -80.93 -32.32 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 O-C-N 121.141 -0.974 . . . . 0.0 113.069 -178.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.45 -51.03 69.94 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.741 1.216 . . . . 0.0 111.161 168.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -67.76 -35.73 79.23 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.24 0.473 . . . . 0.0 112.121 -177.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -66.18 -40.69 90.65 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.645 -0.659 . . . . 0.0 111.849 177.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.0 t -62.15 -51.33 73.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 O-C-N 121.183 -0.948 . . . . 0.0 111.885 174.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -64.57 -29.69 70.71 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 120.294 1.406 . . . . 0.0 113.003 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -70.81 -49.14 49.58 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.07 0.948 . . . . 0.0 110.043 178.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.8 mm -66.86 -36.92 78.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 123.902 0.881 . . . . 0.0 111.081 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.78 -49.97 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 118.915 0.779 . . . . 0.0 111.274 168.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.61 -37.91 95.47 Favored Glycine 0 CA--C 1.532 1.142 0 CA-C-N 118.758 0.708 . . . . 0.0 113.832 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -71.73 -26.9 62.67 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.564 1.146 . . . . 0.0 112.888 173.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.5 p -64.14 -35.02 79.41 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.495 1.043 . . . . 0.0 112.806 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -72.28 -33.82 67.73 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.642 -0.661 . . . . 0.0 112.466 169.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.14 -45.43 85.05 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.751 0.705 . . . . 0.0 111.85 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . 0.25 8.8 ptmm? -87.33 17.5 4.38 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 86.5 p -138.09 -162.38 1.3 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.282 1.833 . . . . 0.0 110.778 174.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.3 m -144.47 146.09 32.24 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.314 1.846 . . . . 0.0 108.781 175.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -37.14 -43.87 0.52 Allowed 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 116.204 1.928 . . . . 0.0 116.204 -174.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -30.66 62.37 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.666 1.121 . . . . 0.0 113.044 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -91.63 14.63 14.55 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.39 1.876 . . . . 0.0 114.512 175.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -56.6 -20.4 20.81 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 p -54.5 -38.96 67.09 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.978 1.263 . . . . 0.0 112.123 169.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.8 mt -75.71 -38.69 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 124.189 0.996 . . . . 0.0 110.625 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.2 p -68.7 -44.88 73.02 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.335 -0.853 . . . . 0.0 111.68 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.37 -38.64 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 125.57 1.548 . . . . 0.0 112.096 173.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.49 -44.2 79.09 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.085 -1.009 . . . . 0.0 112.445 173.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.8 tp -64.01 -41.18 97.55 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.751 0.82 . . . . 0.0 112.067 175.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.0 t -54.49 -41.49 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 126.03 1.732 . . . . 0.0 111.452 173.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -64.71 -37.86 89.02 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -71.55 -43.73 65.87 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.196 0.907 . . . . 0.0 111.582 173.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.14 -33.13 74.79 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 120.758 -1.214 . . . . 0.0 112.084 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -65.55 -39.34 91.59 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.599 0.76 . . . . 0.0 112.919 166.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -64.52 -43.5 93.86 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.408 0.549 . . . . 0.0 109.776 -178.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.3 mt -68.79 -46.54 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.682 175.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -55.43 -50.09 70.71 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 120.401 1.455 . . . . 0.0 111.695 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -69.97 -47.71 61.18 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 123.689 0.796 . . . . 0.0 111.707 -176.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.57 -39.52 80.52 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.795 176.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -81.8 -32.32 31.35 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 118.017 -0.992 . . . . 0.0 112.597 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.3 mt -54.23 -47.59 72.03 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 120.401 1.455 . . . . 0.0 110.866 168.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -58.19 -48.57 79.91 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.118 0.567 . . . . 0.0 111.655 172.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -64.86 -28.44 69.55 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.922 -1.111 . . . . 0.0 113.14 -177.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.9 mt -84.23 -45.52 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 126.635 1.974 . . . . 0.0 110.99 -178.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 p -66.16 -33.58 64.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 119.02 0.827 . . . . 0.0 112.064 177.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -82.88 -12.66 57.21 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.5 t -69.81 138.2 52.46 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.328 1.451 . . . . 0.0 113.027 -170.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.7 p -108.57 -32.33 7.42 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.9 m -87.2 114.34 23.72 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.878 1.217 . . . . 0.0 111.707 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -64.96 -36.79 85.53 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -178.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 m -72.27 0.86 8.81 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.13 -0.981 . . . . 0.0 113.628 172.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -104.61 -32.58 8.86 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.515 1.126 . . . . 0.0 112.744 164.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.6 mt -50.3 -42.36 52.45 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.582 1.083 . . . . 0.0 112.116 172.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -65.91 -28.62 69.07 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 176.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.7 mm -82.09 -31.87 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 O-C-N 121.037 -1.039 . . . . 0.0 112.467 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.88 -29.9 30.9 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.085 0.857 . . . . 0.0 111.93 171.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 41.7 mtm -61.34 -54.13 47.75 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.876 0.87 . . . . 0.0 112.52 172.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 37.9 mtm -71.78 -32.06 67.27 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.132 0.973 . . . . 0.0 112.523 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -67.07 -42.78 84.13 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.429 -0.794 . . . . 0.0 112.052 172.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.1 t -62.37 -43.71 98.18 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 118.911 -0.566 . . . . 0.0 110.922 171.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -55.39 -50.29 70.11 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-O 117.82 -1.086 . . . . 0.0 111.265 172.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 t -54.6 -41.27 69.72 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.413 1.085 . . . . 0.0 112.405 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -77.95 -31.07 50.71 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.9 t -71.96 -39.97 67.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 119.959 1.254 . . . . 0.0 110.995 172.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -67.71 -35.57 79.03 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.291 1.836 . . . . 0.0 111.15 176.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -62.3 -47.15 85.58 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 121.119 -0.988 . . . . 0.0 111.922 162.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.99 -40.78 85.9 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.833 1.197 . . . . 0.0 111.767 -178.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.4 t -56.94 -60.19 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-N 118.588 0.631 . . . . 0.0 110.22 167.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.4 m -55.39 -32.79 62.93 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.489 1.115 . . . . 0.0 113.353 -174.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -75.74 -42.99 49.08 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 129.544 3.138 . . . . 0.0 113.121 175.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -86.33 -13.18 47.32 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -178.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -72.57 -8.12 53.58 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.643 1.177 . . . . 0.0 113.992 170.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm . . . . . 0 C--O 1.251 1.15 0 C-N-CA 127.341 2.256 . . . . 0.0 113.769 -173.316 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -86.25 -25.04 25.76 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.323 1.849 . . . . 0.0 114.015 -174.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -86.09 -39.41 16.78 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.397 0.679 . . . . 0.0 110.439 166.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.56 -42.82 83.79 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.368 1.067 . . . . 0.0 113.224 176.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.7 ptt85 -68.1 -28.7 67.56 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 174.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.2 -45.27 49.43 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.144 0.429 . . . . 0.0 110.888 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -51.89 -47.4 64.57 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.916 0.886 . . . . 0.0 111.196 169.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.61 -43.35 89.91 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.627 1.171 . . . . 0.0 113.654 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -68.52 -37.28 79.9 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.523 1.056 . . . . 0.0 112.186 175.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -66.93 -37.43 84.3 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 118.096 -0.954 . . . . 0.0 112.311 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -52.58 -47.3 66.94 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 118.978 0.808 . . . . 0.0 112.125 170.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 m -80.1 -22.21 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -64.49 -44.5 90.79 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.827 1.194 . . . . 0.0 111.156 166.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -61.05 -43.82 98.31 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.567 0.747 . . . . 0.0 112.007 171.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -61.18 -47.49 85.93 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.443 0.565 . . . . 0.0 111.643 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.17 -50.34 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 O-C-N 121.021 -1.049 . . . . 0.0 111.762 176.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -66.59 -35.98 81.5 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 120.561 1.528 . . . . 0.0 112.4 -178.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.7 tttp -63.08 -45.64 91.15 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.498 1.119 . . . . 0.0 110.874 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.5 mm -74.43 -28.14 22.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 124.464 1.105 . . . . 0.0 112.162 -177.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.4 t -61.38 -38.79 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 O-C-N 120.942 -1.099 . . . . 0.0 110.488 163.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.62 -54.71 35.1 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.429 1.014 . . . . 0.0 113.377 167.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -57.08 -36.63 70.81 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 118.253 1.026 . . . . 0.0 112.728 176.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.7 m -65.08 -43.42 92.22 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.827 0.851 . . . . 0.0 111.553 178.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -78.1 -13.03 60.02 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 173.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.27 -36.76 46.39 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.151 0.887 . . . . 0.0 112.625 168.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -103.83 -0.88 28.64 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 -173.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.9 m -92.86 172.09 8.56 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.698 1.199 . . . . 0.0 113.736 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.0 m -138.06 148.48 45.1 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.643 1.577 . . . . 0.0 109.479 -176.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -27.53 18.5 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 116.166 1.914 . . . . 0.0 116.166 -168.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -65.25 -37.13 86.28 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.424 1.09 . . . . 0.0 112.42 174.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -74.97 36.73 0.11 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.954 2.102 . . . . 0.0 112.87 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -63.54 -42.55 98.39 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.816 -1.177 . . . . 0.0 111.994 -178.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.0 m -63.89 -37.8 88.73 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.196 0.598 . . . . 0.0 112.01 173.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.3 mm -69.85 -41.13 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 121.506 -0.746 . . . . 0.0 111.132 178.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -67.28 -42.12 84.35 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 117.742 -1.123 . . . . 0.0 112.076 178.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.4 p -63.52 -50.06 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 120.135 1.334 . . . . 0.0 110.827 169.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.46 -48.56 81.17 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.253 0.933 . . . . 0.0 112.267 -174.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.7 tp -66.21 -40.5 90.4 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.645 0.778 . . . . 0.0 112.167 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.5 t -66.57 -40.29 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 119.855 1.207 . . . . 0.0 111.594 177.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -41.45 97.98 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.626 0.77 . . . . 0.0 111.368 172.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -65.78 -45.67 81.61 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.129 0.972 . . . . 0.0 111.042 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.8 mt -54.69 -36.36 64.59 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.433 1.093 . . . . 0.0 112.019 172.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -76.4 -28.33 56.65 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 172.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -75.67 -42.54 50.94 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.73 1.15 . . . . 0.0 110.057 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.8 mt -56.95 -42.02 78.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 124.724 1.21 . . . . 0.0 109.753 166.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -61.26 -43.36 99.01 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 118.423 -0.799 . . . . 0.0 112.128 175.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -62.14 -49.33 76.3 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.749 1.159 . . . . 0.0 111.774 175.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -55.04 -49.01 72.65 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.131 0.972 . . . . 0.0 111.2 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.53 ' CZ ' ' HE2' ' A' ' 52' ' ' LYS . 30.7 m-85 -78.76 -31.41 46.15 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 117.737 -1.125 . . . . 0.0 112.703 -177.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.5 mt -55.98 -44.51 78.64 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.715 1.598 . . . . 0.0 111.331 165.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -63.1 -43.19 99.18 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.411 1.085 . . . . 0.0 111.814 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.53 ' HE2' ' CZ ' ' A' ' 49' ' ' TYR . 20.0 mtpp -67.77 -34.59 77.11 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.088 -1.008 . . . . 0.0 112.387 176.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.0 mt -79.99 -36.87 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 125.809 1.644 . . . . 0.0 111.847 -177.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 p -77.01 -25.68 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 119.575 1.079 . . . . 0.0 112.988 176.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -94.08 1.72 56.12 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.264 1.026 . . . . 0.0 113.236 174.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.3 m -62.99 128.6 36.63 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 120.614 -1.304 . . . . 0.0 112.725 -174.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.8 t -89.95 -32.47 16.8 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.6 m -119.43 127.99 53.61 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.37 1.068 . . . . 0.0 112.758 -169.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -61.43 -42.9 99.48 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.644 0.777 . . . . 0.0 113.01 -175.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 m -70.81 -6.3 36.82 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -177.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -99.42 -23.79 15.01 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.845 0.858 . . . . 0.0 112.482 170.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.1 mt -58.23 -41.2 83.61 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.948 1.249 . . . . 0.0 111.613 172.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -62.51 -33.26 74.54 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 175.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.0 mm -80.54 -32.61 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 O-C-N 120.95 -1.094 . . . . 0.0 112.464 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.6 mt -55.96 -24.9 41.12 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.1 0.863 . . . . 0.0 112.788 174.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 55.1 mtm -62.0 -50.43 72.09 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.765 0.826 . . . . 0.0 112.885 168.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 47.0 mtm -76.58 -30.23 56.91 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.888 1.275 . . . . 0.0 112.667 -177.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -59.24 -51.92 67.88 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.519 1.128 . . . . 0.0 112.177 164.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.5 m -58.22 -44.04 88.02 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 120.984 0.421 . . . . 0.0 110.239 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -59.14 -41.31 88.01 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.724 1.21 . . . . 0.0 112.406 175.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.4 m -63.26 -43.09 98.95 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.126 0.971 . . . . 0.0 112.499 176.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -67.76 -37.06 81.61 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 119.214 0.916 . . . . 0.0 112.603 173.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.0 t -65.18 -47.6 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.445 0.698 . . . . 0.0 111.22 175.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -56.24 -45.66 79.88 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.624 1.17 . . . . 0.0 111.416 174.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.69 -47.82 81.99 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 176.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.61 78.07 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.887 0.767 . . . . 0.0 111.649 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 99.5 t -63.01 -51.5 71.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 123.295 0.638 . . . . 0.0 110.609 178.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.08 -20.05 59.68 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -171.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -75.44 -33.41 60.9 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.197 0.999 . . . . 0.0 113.542 165.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -89.44 -18.68 26.29 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -87.47 -2.79 58.86 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.463 1.282 . . . . 0.0 114.463 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 116.045 1.869 . . . . 0.0 116.045 -168.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.0 tt . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 119.021 -0.514 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -62.48 -31.57 72.33 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.962 1.255 . . . . 0.0 111.932 168.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 p -57.98 -30.63 66.2 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.304 -0.872 . . . . 0.0 112.914 168.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -79.49 -41.62 27.04 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 125.434 1.493 . . . . 0.0 111.851 177.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -67.27 -29.1 68.63 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 118.94 -0.552 . . . . 0.0 112.362 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -69.54 -50.86 40.91 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 118.657 0.662 . . . . 0.0 111.415 175.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.3 ptmm? -61.27 -36.99 81.55 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.159 -0.963 . . . . 0.0 111.536 173.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.62 92.09 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.214 0.915 . . . . 0.0 113.461 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -66.58 -42.81 86.4 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 119.653 1.115 . . . . 0.0 110.86 174.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -65.83 -36.75 84.37 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -59.43 -38.76 81.49 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.257 1.823 . . . . 0.0 112.578 174.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.6 m -84.76 -30.05 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 O-C-N 121.735 -0.603 . . . . 0.0 112.538 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -58.69 -51.73 68.69 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.182 0.901 . . . . 0.0 112.159 171.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -61.34 -31.45 71.32 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 118.49 0.586 . . . . 0.0 111.858 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -75.61 -48.53 21.83 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.282 0.633 . . . . 0.0 111.299 -177.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.2 t -54.3 -49.51 63.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.105 0.962 . . . . 0.0 110.435 167.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -65.36 -33.98 77.24 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.859 0.864 . . . . 0.0 113.243 -176.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -64.83 -50.08 68.07 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.5 1.12 . . . . 0.0 109.836 172.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.0 mt -72.47 -31.85 39.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 C-N-CA 124.169 0.988 . . . . 0.0 112.513 -174.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.7 t -59.88 -49.94 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 O-C-N 121.085 -1.01 . . . . 0.0 110.946 168.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.22 -37.56 93.05 Favored Glycine 0 CA--C 1.534 1.243 0 CA-C-O 119.617 -0.546 . . . . 0.0 113.533 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -68.06 -32.07 72.16 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.032 1.416 . . . . 0.0 112.474 172.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.3 m -65.13 -38.73 91.56 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.366 -0.834 . . . . 0.0 111.68 173.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -64.78 -41.95 95.47 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.538 -0.726 . . . . 0.0 112.006 169.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.63 -34.24 77.82 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.02 15.08 21.62 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 173.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 t -76.56 162.24 27.94 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.419 1.088 . . . . 0.0 112.442 174.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.38 176.13 9.59 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.59 1.556 . . . . 0.0 109.804 172.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -67.1 -36.4 81.85 Favored 'General case' 0 N--CA 1.483 1.191 0 O-C-N 120.273 -1.517 . . . . 0.0 111.635 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -72.57 -46.05 56.25 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.346 1.858 . . . . 0.0 112.44 171.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -75.56 -11.01 59.94 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -173.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -47.69 -40.88 21.24 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.457 1.903 . . . . 0.0 114.764 -174.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.7 m -57.01 -40.2 76.17 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.243 1.017 . . . . 0.0 112.46 177.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.1 mt -68.96 -46.14 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 C-N-CA 123.771 0.828 . . . . 0.0 109.455 176.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.9 m -55.92 -47.89 76.68 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.049 0.939 . . . . 0.0 111.816 -177.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.2 t -69.47 -41.13 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 121.61 -0.681 . . . . 0.0 111.28 179.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.69 -36.3 83.41 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 118.826 0.739 . . . . 0.0 112.862 177.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.0 tp -69.56 -45.17 69.35 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.322 1.449 . . . . 0.0 111.602 174.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.4 t -62.84 -39.74 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 CA-C-N 120.341 1.428 . . . . 0.0 112.145 175.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -57.88 -39.92 78.97 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.007 0.523 . . . . 0.0 111.407 172.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -73.55 -51.38 17.16 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 118.755 0.707 . . . . 0.0 112.469 177.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 64.4 mt -51.81 -50.07 61.51 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.521 1.528 . . . . 0.0 112.139 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -72.63 -27.12 61.95 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.482 -0.761 . . . . 0.0 112.658 179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -65.84 -40.08 91.4 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 118.332 -0.842 . . . . 0.0 111.95 171.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.7 mt -61.67 -39.93 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 119.88 1.218 . . . . 0.0 109.69 172.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -56.76 -50.12 73.21 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 118.915 -0.564 . . . . 0.0 111.736 174.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -61.53 -47.37 85.9 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.409 1.083 . . . . 0.0 112.268 179.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -64.34 -47.53 79.02 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.482 0.713 . . . . 0.0 111.54 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -73.05 -28.8 62.54 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 118.162 -0.923 . . . . 0.0 111.97 178.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.3 mt -55.42 -42.36 74.03 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 120.522 1.51 . . . . 0.0 111.447 165.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.98 -39.76 83.23 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.684 0.675 . . . . 0.0 111.629 175.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -63.33 -38.99 93.3 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.434 1.015 . . . . 0.0 111.43 176.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.9 mt -77.89 -39.44 25.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 125.529 1.531 . . . . 0.0 111.855 -174.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.5 -38.22 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 O-C-N 120.53 -1.356 . . . . 0.0 112.327 175.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -86.21 6.04 31.39 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.401 1.881 . . . . 0.0 113.158 -177.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.1 m -83.84 117.21 23.15 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 120.356 -1.465 . . . . 0.0 112.09 178.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.5 t -85.8 8.6 19.38 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.3 m -141.66 112.91 7.5 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.861 1.264 . . . . 0.0 112.431 -164.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -71.35 -26.64 62.9 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -177.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.9 p -71.73 -21.01 61.82 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.922 1.289 . . . . 0.0 114.17 169.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -86.28 -44.34 12.21 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.866 0.866 . . . . 0.0 110.236 171.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.7 mt -49.54 -40.43 38.16 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.925 1.69 . . . . 0.0 113.631 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -62.97 -30.32 71.49 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 177.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.1 mm -77.8 -36.52 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 O-C-N 120.931 -1.105 . . . . 0.0 111.978 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.55 -27.97 52.09 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 118.665 0.666 . . . . 0.0 111.848 174.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 28.8 mtm -60.33 -55.04 38.45 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.828 0.851 . . . . 0.0 112.086 172.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 45.5 mtm -73.03 -33.47 65.75 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.777 1.231 . . . . 0.0 112.349 -175.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -62.84 -52.67 62.22 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.509 0.595 . . . . 0.0 112.169 170.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.3 t -61.48 -44.14 97.62 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.634 -0.426 . . . . 0.0 109.876 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -57.67 -44.55 85.81 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.17 0.988 . . . . 0.0 112.485 177.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.1 m -61.87 -44.81 96.05 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.352 0.661 . . . . 0.0 112.084 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -72.95 -31.92 64.9 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.404 0.891 . . . . 0.0 113.404 -177.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.3 t -66.66 -40.41 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.664 1.186 . . . . 0.0 110.579 173.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -72.94 -35.93 67.08 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.826 0.85 . . . . 0.0 112.506 175.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -64.94 -39.1 92.98 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.936 -1.102 . . . . 0.0 112.274 173.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.68 -40.73 93.22 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.727 0.811 . . . . 0.0 111.793 174.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.94 -51.52 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-O 118.992 -0.528 . . . . 0.0 110.298 170.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.11 -17.67 64.43 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -175.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -75.52 -55.78 5.34 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.887 1.275 . . . . 0.0 111.962 165.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -72.58 -30.61 64.54 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -174.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.67 -5.3 52.67 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -175.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt . . . . . 0 C--O 1.253 1.259 0 C-N-CA 127.408 2.283 . . . . 0.0 114.571 -164.961 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 10.7 mp . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -19.82 -61.13 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 130.147 3.379 . . . . 0.0 114.951 149.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 p -46.09 -51.45 13.85 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.44 1.896 . . . . 0.0 113.103 170.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -66.33 -38.34 87.42 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.327 1.451 . . . . 0.0 112.732 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -76.58 -12.27 59.99 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 175.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -79.48 -48.31 14.13 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.936 0.894 . . . . 0.0 110.977 169.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -62.81 -40.52 97.62 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.104 0.866 . . . . 0.0 111.135 173.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.22 -44.62 96.17 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.624 0.77 . . . . 0.0 112.855 -175.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -66.81 -31.2 71.67 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.758 -0.589 . . . . 0.0 111.598 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -44.37 71.61 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.801 1.241 . . . . 0.0 111.41 171.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -57.78 -47.65 81.92 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.163 0.985 . . . . 0.0 111.622 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 m -77.64 -27.45 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 121.234 -0.916 . . . . 0.0 113.464 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.16 -55.71 28.14 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.129 0.877 . . . . 0.0 110.993 164.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -69.66 -35.76 75.44 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-O 118.775 -0.631 . . . . 0.0 112.009 -175.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -64.34 -42.21 96.37 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.407 1.003 . . . . 0.0 112.047 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.3 t -62.26 -48.53 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 O-C-N 121.161 -0.962 . . . . 0.0 111.541 174.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -70.61 -32.33 69.64 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 120.144 1.338 . . . . 0.0 113.066 -178.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -62.51 -44.57 96.04 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.727 1.611 . . . . 0.0 111.143 175.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.9 mm -80.49 -32.98 13.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.793 1.237 . . . . 0.0 111.317 -176.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.7 t -56.21 -48.7 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-O 118.465 -0.778 . . . . 0.0 109.908 162.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.63 -47.62 83.32 Favored Glycine 0 CA--C 1.535 1.292 0 CA-C-N 119.461 1.028 . . . . 0.0 113.332 175.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -58.09 -37.43 74.5 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.901 -0.764 . . . . 0.0 112.436 173.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.0 p -65.09 -31.87 73.29 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.857 1.208 . . . . 0.0 113.18 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -80.21 -27.31 38.85 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.97 0.908 . . . . 0.0 111.866 173.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.46 -37.61 65.73 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.431 0.692 . . . . 0.0 112.797 172.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -77.81 -31.25 51.62 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.969 0.908 . . . . 0.0 112.807 175.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.7 m -77.09 174.97 10.07 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.481 0.713 . . . . 0.0 112.077 173.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.6 p -118.09 168.38 10.6 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 155.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -45.45 -37.87 5.6 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.096 1.359 . . . . 0.0 112.941 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -56.93 -29.33 63.02 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.589 1.155 . . . . 0.0 113.276 -177.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -100.32 25.64 7.4 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.746 1.219 . . . . 0.0 114.027 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -51.37 -30.13 17.81 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 121.351 -0.843 . . . . 0.0 113.181 170.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -14.71 63.17 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.963 1.705 . . . . 0.0 113.541 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.8 mm -102.44 -43.16 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.781 1.232 . . . . 0.0 110.985 174.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.2 p -60.73 -41.28 95.03 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.756 0.707 . . . . 0.0 111.982 177.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.0 p -56.98 -35.81 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 119.221 0.919 . . . . 0.0 113.158 176.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.3 -46.97 46.52 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.487 -0.758 . . . . 0.0 111.487 176.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.4 tp -64.14 -33.19 75.21 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.204 0.602 . . . . 0.0 112.199 176.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.8 t -60.92 -48.73 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.814 1.246 . . . . 0.0 111.108 171.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -70.43 -26.0 63.46 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -76.49 -47.72 21.94 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.667 1.121 . . . . 0.0 112.501 169.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 76.3 mt -61.63 -36.03 79.61 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 120.409 -1.432 . . . . 0.0 111.911 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -66.84 -33.8 76.39 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.374 -0.829 . . . . 0.0 112.572 170.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -65.4 -45.09 85.36 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 120.064 1.302 . . . . 0.0 111.042 174.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.5 mt -60.06 -36.0 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.132 0.573 . . . . 0.0 111.246 172.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -57.52 -55.91 28.73 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.25 -0.907 . . . . 0.0 111.58 173.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -64.24 -39.07 93.2 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.612 0.642 . . . . 0.0 111.467 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -53.98 -47.16 71.7 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.466 1.107 . . . . 0.0 111.169 172.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -82.73 -34.2 27.27 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.3 mt -57.49 -43.69 84.35 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.61 1.095 . . . . 0.0 110.756 171.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -64.42 -37.45 87.55 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.159 0.983 . . . . 0.0 112.596 173.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -65.92 -36.64 83.93 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 120.793 -1.192 . . . . 0.0 112.111 173.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 57.5 mt -72.26 -34.61 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.199 1.399 . . . . 0.0 112.228 -174.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -70.03 -27.85 34.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 O-C-N 121.084 -1.01 . . . . 0.0 112.954 170.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -91.31 -23.94 19.97 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -177.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.9 t -59.55 135.26 57.61 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.8 1.24 . . . . 0.0 113.16 -169.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.4 t -82.66 -19.21 38.64 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -163.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.2 m -145.92 143.4 29.52 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.108 1.363 . . . . 0.0 111.703 -173.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.433 ' CD ' ' H ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -49.35 -43.46 43.85 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.709 1.204 . . . . 0.0 113.336 164.776 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 99.4 p -71.42 -7.25 46.08 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -97.79 -42.52 7.55 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.659 1.184 . . . . 0.0 110.854 166.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.6 mt -54.5 -42.73 71.13 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.449 1.5 . . . . 0.0 113.579 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -61.18 -30.45 70.42 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 175.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.1 mm -82.45 -31.96 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 O-C-N 121.067 -1.02 . . . . 0.0 111.769 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -53.41 -33.9 55.68 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.424 1.011 . . . . 0.0 111.45 169.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 21.1 mtm -61.68 -48.57 80.19 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.452 0.569 . . . . 0.0 111.466 173.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.1 mmt -70.81 -35.01 72.32 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.389 1.076 . . . . 0.0 112.385 -176.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -77.32 -32.22 55.11 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.225 -0.922 . . . . 0.0 112.874 177.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.5 p -58.29 -45.9 87.07 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.652 -0.655 . . . . 0.0 111.057 163.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -60.48 -43.83 96.57 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.982 1.313 . . . . 0.0 111.013 177.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.8 t -57.08 -47.52 80.82 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.35 1.86 . . . . 0.0 113.174 172.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -77.15 -24.0 51.59 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 120.584 -1.323 . . . . 0.0 113.82 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.2 t -66.84 -43.15 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 123.816 0.846 . . . . 0.0 110.681 167.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -64.93 -37.18 86.79 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.615 0.643 . . . . 0.0 112.325 174.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -59.35 -43.73 92.76 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.387 -0.821 . . . . 0.0 111.825 169.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.15 80.96 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.571 -0.706 . . . . 0.0 112.478 177.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.0 t -59.62 -52.08 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.448 -0.783 . . . . 0.0 110.285 174.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.4 t -64.45 -32.2 73.73 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.192 0.451 . . . . 0.0 112.017 -177.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -64.15 -49.12 73.39 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.156 0.982 . . . . 0.0 112.915 170.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -87.8 -21.28 25.18 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -171.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.55 -21.29 55.87 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.632 1.105 . . . . 0.0 113.234 174.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 50.9 mttm . . . . . 0 C--O 1.251 1.179 0 CA-C-O 116.447 -1.74 . . . . 0.0 114.329 179.222 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.07 -44.13 55.26 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.243 1.417 . . . . 0.0 112.685 -172.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.2 p -69.88 -26.2 64.06 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.702 0.401 . . . . 0.0 111.234 169.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.87 -43.43 71.85 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 174.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -66.31 -29.44 69.65 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 122.106 -0.371 . . . . 0.0 110.897 171.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.59 -45.81 81.8 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.127 1.371 . . . . 0.0 112.701 172.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.0 mttm -64.9 -46.68 80.69 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.71 0.804 . . . . 0.0 110.73 173.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.03 -46.37 89.46 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.999 0.919 . . . . 0.0 111.996 -176.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -44.17 97.08 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.936 0.789 . . . . 0.0 111.605 173.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.3 tptt -68.93 -38.24 79.39 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -172.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -58.52 -46.54 86.53 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.254 1.422 . . . . 0.0 111.799 174.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.4 m -78.33 -31.93 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 121.687 -0.633 . . . . 0.0 112.443 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -63.44 -43.39 97.55 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 118.55 -0.738 . . . . 0.0 111.825 169.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.12 -28.69 61.46 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.718 1.145 . . . . 0.0 112.79 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -67.05 -44.65 79.64 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.161 0.891 . . . . 0.0 111.46 173.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.2 t -62.38 -46.36 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 O-C-N 120.927 -1.108 . . . . 0.0 110.759 170.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -56.23 -45.16 80.07 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.451 1.023 . . . . 0.0 112.306 177.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -59.45 -60.05 4.47 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 124.2 1.0 . . . . 0.0 108.715 175.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.33 12.2 mt -73.52 -24.01 19.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 118.711 0.687 . . . . 0.0 112.824 -166.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.7 t -61.49 -49.64 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 O-C-N 120.667 -1.271 . . . . 0.0 111.651 163.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.16 -36.2 91.51 Favored Glycine 0 CA--C 1.534 1.242 0 O-C-N 121.545 -0.722 . . . . 0.0 113.464 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.9 -37.41 78.97 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.938 1.295 . . . . 0.0 111.838 175.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.0 t -59.96 -43.91 94.77 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 118.923 -0.561 . . . . 0.0 110.802 175.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -65.38 -38.83 91.18 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.551 1.069 . . . . 0.0 112.622 172.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.26 -9.97 20.79 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 174.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -129.65 27.9 5.2 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.458 1.503 . . . . 0.0 114.58 173.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.3 133.12 32.65 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 178.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.1 p -97.43 169.93 9.41 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.765 1.626 . . . . 0.0 112.197 -175.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -57.51 -36.11 71.13 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 120.6 -1.313 . . . . 0.0 113.74 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -6.87 43.36 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.076 1.35 . . . . 0.0 113.353 174.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -110.15 -4.27 15.88 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.089 1.755 . . . . 0.0 114.134 175.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -45.75 -40.07 9.01 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.641 1.576 . . . . 0.0 114.459 -174.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -34.43 77.72 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.005 1.322 . . . . 0.0 113.309 178.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.9 mt -77.64 -38.87 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.592 1.157 . . . . 0.0 109.535 173.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.2 -48.07 83.27 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.581 0.752 . . . . 0.0 111.374 177.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.5 p -62.54 -44.32 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 CA-C-O 118.297 -0.859 . . . . 0.0 111.211 175.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.83 94.74 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.176 0.898 . . . . 0.0 111.704 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.7 tp -63.47 -43.91 95.97 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.629 0.65 . . . . 0.0 112.336 175.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.19 -41.12 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 O-C-N 121.154 -0.966 . . . . 0.0 111.885 178.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -38.53 91.4 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.33 1.052 . . . . 0.0 111.954 175.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -63.23 -48.56 77.74 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.108 0.563 . . . . 0.0 110.349 172.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.9 mt -61.22 -37.91 84.72 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.081 -1.012 . . . . 0.0 112.993 178.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -64.26 -35.98 82.58 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 118.756 -0.64 . . . . 0.0 111.57 172.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -68.23 -44.08 76.51 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.648 1.113 . . . . 0.0 109.493 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.3 mt -56.87 -45.73 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 123.999 0.92 . . . . 0.0 111.182 171.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -59.31 -52.3 66.25 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.39 0.541 . . . . 0.0 111.157 177.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -60.38 -46.35 90.28 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.494 0.717 . . . . 0.0 111.252 -178.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -59.97 -52.02 67.18 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.189 0.596 . . . . 0.0 112.263 178.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.407 ' CD2' ' HB3' ' A' ' 69' ' ' SER . 25.8 m-85 -73.32 -28.87 62.31 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 118.071 -0.966 . . . . 0.0 111.436 -175.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 64.7 mt -59.33 -39.35 82.86 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.14 1.336 . . . . 0.0 112.218 165.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -27.71 69.43 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.533 -0.729 . . . . 0.0 112.016 173.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -80.23 -29.44 38.46 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.212 1.405 . . . . 0.0 112.63 171.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.7 mm -62.53 -50.95 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 119.483 1.038 . . . . 0.0 111.154 172.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.5 p -69.69 -40.28 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.847 -0.533 . . . . 0.0 111.94 -174.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -81.88 8.56 10.01 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 176.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.556 ' HG ' ' HG ' ' A' ' 62' ' ' LEU . 24.0 t -73.48 130.04 39.25 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 119.678 -1.889 . . . . 0.0 111.789 171.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.2 p -95.32 -5.1 44.27 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.422 1.489 . . . . 0.0 112.887 165.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.6 t -127.44 123.07 35.18 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.896 1.678 . . . . 0.0 111.386 -165.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -28.12 57.78 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.536 -0.728 . . . . 0.0 112.464 175.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 p -65.03 -47.03 78.85 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.845 0.858 . . . . 0.0 111.172 169.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -59.48 -42.08 91.26 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.995 1.27 . . . . 0.0 112.223 173.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.556 ' HG ' ' HG ' ' A' ' 56' ' ' SER . 18.2 mt -57.22 -36.52 70.98 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -177.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -71.74 -39.05 70.33 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 118.972 -0.537 . . . . 0.0 111.948 176.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.1 mm -69.71 -34.73 62.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 119.852 1.205 . . . . 0.0 111.656 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.4 mt -57.0 -26.64 60.58 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.4 -0.813 . . . . 0.0 112.824 174.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 37.5 mtm -63.65 -48.5 76.97 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.318 0.963 . . . . 0.0 111.511 171.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -70.48 -38.87 74.47 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.549 0.74 . . . . 0.0 111.717 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -68.9 -42.29 77.07 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.561 -0.712 . . . . 0.0 112.868 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.407 ' HB3' ' CD2' ' A' ' 49' ' ' TYR . 72.8 p -67.68 -40.11 84.44 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 118.667 -0.682 . . . . 0.0 112.523 172.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -57.55 -47.44 82.03 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.199 0.999 . . . . 0.0 111.083 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.3 t -57.58 -42.82 83.86 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 124.221 1.008 . . . . 0.0 111.523 175.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -68.35 -41.77 80.2 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.653 1.181 . . . . 0.0 113.973 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.74 -49.31 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 118.975 0.807 . . . . 0.0 109.619 173.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -75.34 -11.94 60.16 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.511 0.724 . . . . 0.0 112.65 -178.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -73.78 -53.75 9.59 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.423 1.489 . . . . 0.0 110.138 167.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.87 92.01 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.111 0.565 . . . . 0.0 110.652 177.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.5 t -68.28 -48.02 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-O 118.139 -0.934 . . . . 0.0 111.308 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.6 t -65.05 -24.66 67.53 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.889 1.222 . . . . 0.0 112.867 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -79.6 -42.8 24.17 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.802 1.241 . . . . 0.0 113.271 172.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -78.91 -34.82 44.35 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.641 0.776 . . . . 0.0 112.863 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -76.55 -1.01 25.31 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -175.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp . . . . . 0 C--O 1.247 0.964 0 C-N-CA 127.405 2.282 . . . . 0.0 111.925 -169.14 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 92.6 mt . . . . . 0 N--CA 1.483 1.192 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -50.19 -43.01 52.28 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 127.566 2.346 . . . . 0.0 114.538 -175.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.71 -39.68 76.74 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.101 1.361 . . . . 0.0 111.264 177.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.415 ' OE2' ' HE3' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -65.28 -47.83 75.31 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.172 1.389 . . . . 0.0 110.619 -179.644 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.2 ptt85 -63.86 -26.81 68.78 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.948 -1.095 . . . . 0.0 112.88 175.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.89 -41.16 78.65 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.995 1.318 . . . . 0.0 111.942 175.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.415 ' HE3' ' OE2' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -76.22 -36.58 58.51 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.123 -0.986 . . . . 0.0 112.746 171.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.24 -45.96 89.15 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.426 1.09 . . . . 0.0 112.284 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -61.47 -42.2 98.42 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.619 0.645 . . . . 0.0 111.465 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -66.23 -39.93 89.91 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 118.908 -0.568 . . . . 0.0 111.554 -176.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 -60.45 -45.56 93.25 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 175.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.4 m -71.91 -32.58 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -62.03 -47.12 86.15 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.791 1.178 . . . . 0.0 111.824 168.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -56.87 -45.35 82.56 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.471 1.032 . . . . 0.0 112.366 172.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -60.74 -46.85 88.86 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.956 0.798 . . . . 0.0 111.486 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.6 t -57.48 -53.21 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.023 0.929 . . . . 0.0 111.309 171.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -64.18 -35.16 79.88 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.888 0.875 . . . . 0.0 112.233 -175.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -70.53 -41.61 72.32 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.593 1.557 . . . . 0.0 110.699 176.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.6 mm -69.39 -32.67 54.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 124.356 1.062 . . . . 0.0 112.535 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.9 t -58.66 -42.81 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 O-C-N 120.8 -1.188 . . . . 0.0 110.578 166.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.88 -46.91 93.15 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 123.541 0.591 . . . . 0.0 113.044 173.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -56.07 -39.78 72.57 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.381 1.072 . . . . 0.0 113.055 176.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.7 t -72.05 -33.83 68.27 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 118.205 -0.902 . . . . 0.0 112.731 177.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -68.29 -34.34 75.98 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.754 1.161 . . . . 0.0 111.39 169.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.98 -1.24 1.92 Allowed 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 173.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -131.1 9.09 4.8 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 163.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.0 p -73.66 162.77 28.83 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -170.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.6 m -138.93 135.56 34.53 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.241 1.416 . . . . 0.0 110.005 -170.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -43.32 -60.05 1.86 Allowed 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 125.263 1.425 . . . . 0.0 111.481 177.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.3 tptt -74.13 15.38 0.32 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.511 1.524 . . . . 0.0 114.732 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 82.5 mmt-85 -131.49 11.62 4.9 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.84 1.656 . . . . 0.0 113.713 172.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -47.12 -38.14 11.02 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.118 1.367 . . . . 0.0 114.031 178.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -30.76 71.4 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.711 -1.243 . . . . 0.0 112.983 179.053 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.0 mt -83.75 -36.76 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 124.042 0.937 . . . . 0.0 110.982 -177.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.1 p -63.95 -41.26 97.64 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.499 1.045 . . . . 0.0 111.098 168.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.4 t -57.76 -44.72 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-O 118.654 -0.689 . . . . 0.0 111.342 170.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.0 89.48 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.735 1.152 . . . . 0.0 113.752 177.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.9 tp -68.28 -41.43 81.02 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.448 -0.783 . . . . 0.0 111.684 173.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.9 t -64.35 -34.77 71.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 O-C-N 121.083 -1.011 . . . . 0.0 111.662 174.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -60.63 -32.03 71.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.027 0.931 . . . . 0.0 112.559 174.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -82.47 -46.47 13.41 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.144 0.884 . . . . 0.0 111.748 170.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.8 mt -53.26 -44.88 68.53 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 120.674 -1.266 . . . . 0.0 113.248 -176.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -71.57 -28.86 64.13 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 175.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -69.21 -43.62 73.75 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.712 0.805 . . . . 0.0 111.045 178.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.3 mt -60.22 -43.14 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 118.749 0.704 . . . . 0.0 109.458 170.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -59.04 -48.22 82.38 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 118.915 -0.564 . . . . 0.0 112.047 178.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -60.41 -53.25 59.79 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.376 1.07 . . . . 0.0 111.747 176.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -55.84 -44.3 77.84 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.758 1.223 . . . . 0.0 111.185 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.403 ' CD2' ' HB2' ' A' ' 69' ' ' SER . 12.5 m-85 -81.17 -33.09 33.31 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-O 117.576 -1.202 . . . . 0.0 113.361 -178.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.4 mt -54.06 -45.04 71.59 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.695 1.589 . . . . 0.0 110.517 167.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -64.75 -43.05 94.58 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 176.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -70.58 -34.35 72.1 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 118.728 0.695 . . . . 0.0 112.036 -179.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.2 mt -71.93 -39.71 67.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.912 1.285 . . . . 0.0 111.312 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 p -73.26 -23.54 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 O-C-N 121.062 -1.024 . . . . 0.0 112.879 174.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -86.45 -2.74 58.71 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.738 1.615 . . . . 0.0 113.635 171.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 t -71.35 -30.15 65.83 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 116.49 2.033 . . . . 0.0 116.49 -159.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.1 p 48.97 -21.61 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 120.561 3.541 . . . . 0.0 120.561 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.9 t -104.86 132.11 51.52 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 121.102 1.774 . . . . 0.0 110.679 171.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -67.11 -36.25 81.52 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.791 0.836 . . . . 0.0 111.335 172.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.0 m -76.05 -14.09 60.21 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.897 0.879 . . . . 0.0 113.038 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -89.94 -41.4 11.78 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.219 0.918 . . . . 0.0 112.127 162.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.6 mt -51.73 -42.28 62.18 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.444 1.098 . . . . 0.0 113.015 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -60.63 -25.84 66.59 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 178.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.5 mm -86.07 -34.6 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 C-N-CA 124.851 1.26 . . . . 0.0 112.882 177.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.54 -29.71 26.79 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.87 1.214 . . . . 0.0 112.305 176.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 64.0 mtm -60.5 -55.08 37.79 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 171.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 35.8 mtm -68.34 -34.11 75.5 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.333 1.053 . . . . 0.0 111.843 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -66.03 -46.35 78.17 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.194 0.998 . . . . 0.0 112.977 175.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.403 ' HB2' ' CD2' ' A' ' 49' ' ' TYR . 44.5 t -65.49 -43.7 89.37 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.089 0.859 . . . . 0.0 111.19 173.26 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 -57.54 -42.27 82.61 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.112 0.965 . . . . 0.0 112.307 178.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.5 t -59.74 -54.13 49.94 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.398 1.479 . . . . 0.0 111.997 171.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -59.78 -35.6 74.98 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.55 1.068 . . . . 0.0 112.732 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.3 t -70.03 -47.2 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.296 1.039 . . . . 0.0 111.92 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.08 -45.91 91.44 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.42 0.554 . . . . 0.0 110.856 173.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -59.07 -36.39 75.0 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.355 1.062 . . . . 0.0 112.332 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.33 -46.67 69.6 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.188 0.995 . . . . 0.0 112.418 175.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.4 t -58.25 -49.55 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 119.443 1.02 . . . . 0.0 109.859 172.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.5 t -58.89 -26.89 64.71 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 127.311 2.245 . . . . 0.0 113.899 177.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -76.42 -38.72 55.15 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.662 1.585 . . . . 0.0 112.24 174.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -87.56 -33.59 18.86 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -20.13 61.73 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.039 -1.038 . . . . 0.0 113.483 176.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp . . . . . 0 C--O 1.246 0.9 0 C-N-CA 127.135 2.174 . . . . 0.0 110.269 171.698 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -56.4 -52.39 64.8 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -161.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 p -67.88 -22.17 65.12 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -78.66 -53.35 7.26 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.611 1.165 . . . . 0.0 110.945 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -25.58 67.03 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.684 -0.635 . . . . 0.0 112.164 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.66 -41.75 87.71 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.488 -0.758 . . . . 0.0 112.943 172.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -63.35 -41.22 98.84 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.461 -0.774 . . . . 0.0 110.433 172.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.79 -44.69 93.83 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.958 0.503 . . . . 0.0 112.332 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -69.88 -38.2 76.3 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.075 0.852 . . . . 0.0 113.013 174.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -65.63 -38.68 90.07 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.466 1.03 . . . . 0.0 112.799 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -57.82 -43.65 85.91 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.213 1.005 . . . . 0.0 112.074 174.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.6 m -83.31 -32.13 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.561 -0.712 . . . . 0.0 112.854 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -56.34 -49.31 74.72 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.948 1.299 . . . . 0.0 111.432 168.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.46 -35.35 77.44 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.419 0.554 . . . . 0.0 111.856 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.06 -46.26 81.93 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.771 0.714 . . . . 0.0 111.462 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.8 t -58.66 -53.05 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.68 0.792 . . . . 0.0 111.174 175.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -66.96 -32.59 73.93 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 120.441 1.473 . . . . 0.0 113.492 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -69.13 -43.41 74.45 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.737 1.215 . . . . 0.0 110.546 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.2 mt -78.59 -30.66 15.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 124.077 0.951 . . . . 0.0 112.43 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 37.7 t -58.08 -45.86 88.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-N 119.424 1.011 . . . . 0.0 110.501 162.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.71 -40.83 99.68 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 121.556 -0.715 . . . . 0.0 113.796 177.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -69.55 -31.91 70.4 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.374 1.087 . . . . 0.0 112.651 174.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.8 t -60.85 -47.34 86.79 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.327 -0.858 . . . . 0.0 110.989 169.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -61.48 -34.63 75.8 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.197 -0.939 . . . . 0.0 112.773 170.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.0 -29.56 69.43 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.228 -0.92 . . . . 0.0 113.432 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -97.99 -14.33 20.63 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 173.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.5 m -71.76 163.44 27.79 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.273 1.429 . . . . 0.0 113.813 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.9 p -133.26 160.21 37.95 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.504 1.922 . . . . 0.0 110.364 171.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -54.54 -41.36 69.65 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 121.302 -0.874 . . . . 0.0 113.316 -177.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -54.4 -45.48 72.93 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.695 0.68 . . . . 0.0 111.485 176.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -89.03 10.52 21.31 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.986 1.714 . . . . 0.0 115.569 -172.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 54.5 t60 -58.08 -25.76 61.7 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -176.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.1 m -55.09 -38.19 67.79 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 120.923 -1.111 . . . . 0.0 112.308 172.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.4 mm -75.46 -40.51 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.087 1.355 . . . . 0.0 110.24 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.6 m -56.75 -46.79 81.2 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.289 0.636 . . . . 0.0 110.646 173.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.4 t -69.0 -38.83 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.669 0.787 . . . . 0.0 112.174 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.27 -44.06 97.85 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.255 0.934 . . . . 0.0 111.654 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.9 tp -68.57 -39.54 80.97 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 118.607 -0.711 . . . . 0.0 111.97 175.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.1 t -57.88 -47.59 85.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 CA-C-N 120.257 1.389 . . . . 0.0 111.372 172.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -61.13 -35.73 77.83 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.443 0.697 . . . . 0.0 112.235 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -72.8 -48.3 39.26 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.742 0.701 . . . . 0.0 112.314 173.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.3 mt -58.7 -37.96 77.24 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.636 1.174 . . . . 0.0 112.449 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -65.77 -32.91 74.71 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.889 0.876 . . . . 0.0 112.906 171.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -66.45 -41.08 89.63 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.332 1.053 . . . . 0.0 110.643 176.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.1 mt -63.21 -49.78 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 O-C-N 121.984 -0.447 . . . . 0.0 110.059 172.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -54.38 -43.97 71.84 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.433 0.561 . . . . 0.0 111.074 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -63.27 -54.62 34.31 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.096 1.758 . . . . 0.0 113.946 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.4 -47.95 82.21 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.261 0.937 . . . . 0.0 110.862 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -75.22 -31.27 60.83 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 117.786 -1.102 . . . . 0.0 111.482 -173.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.1 mt -53.89 -46.72 71.47 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 120.2 1.363 . . . . 0.0 111.728 164.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -66.09 -42.26 89.54 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.923 0.783 . . . . 0.0 111.821 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -65.9 -30.55 71.16 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.037 -1.039 . . . . 0.0 111.747 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 76.7 mt -79.31 -38.84 20.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 125.435 1.494 . . . . 0.0 111.788 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.1 p -80.77 -6.56 9.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 O-C-N 120.96 -1.088 . . . . 0.0 113.407 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -118.14 1.71 11.96 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.771 1.628 . . . . 0.0 113.469 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.1 t -71.06 130.01 40.43 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 120.285 -1.51 . . . . 0.0 111.251 -176.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.96 -37.04 48.38 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.411 0.685 . . . . 0.0 111.184 165.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.5 m -95.33 117.49 30.4 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 125.178 1.391 . . . . 0.0 112.474 -171.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -71.06 -39.25 72.32 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.455 -0.778 . . . . 0.0 112.813 -177.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 95.9 p -65.36 -3.38 4.09 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 173.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -98.49 -24.97 14.93 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.359 1.063 . . . . 0.0 113.162 170.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 79.5 mt -57.78 -46.01 85.19 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.82 1.191 . . . . 0.0 110.862 174.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -62.93 -23.98 67.64 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 177.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.5 mm -87.45 -35.75 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 124.349 1.06 . . . . 0.0 113.207 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 54.8 mt -58.1 -26.11 62.19 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.436 1.016 . . . . 0.0 112.364 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 46.1 mtm -57.61 -46.55 83.93 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.161 0.984 . . . . 0.0 113.367 167.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 33.6 mtm -75.78 -42.76 49.27 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 118.304 -0.855 . . . . 0.0 111.306 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.62 -45.86 90.71 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.45 1.023 . . . . 0.0 112.195 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.3 t -65.04 -32.68 74.52 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 118.516 0.598 . . . . 0.0 112.097 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -65.83 -45.87 80.67 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.26 0.936 . . . . 0.0 111.411 173.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.7 m -59.55 -33.9 71.99 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.948 0.794 . . . . 0.0 112.161 173.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -67.37 -44.84 77.96 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 118.989 0.813 . . . . 0.0 112.121 173.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.9 t -64.56 -46.32 92.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 123.374 0.67 . . . . 0.0 110.71 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -62.56 -41.9 99.21 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.4 1.48 . . . . 0.0 111.745 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -64.56 -46.31 83.33 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 121.173 -0.955 . . . . 0.0 112.338 172.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.63 97.4 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.888 0.767 . . . . 0.0 111.878 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 68.0 t -59.23 -57.11 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 118.799 0.727 . . . . 0.0 109.941 169.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -61.05 -16.82 48.01 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -175.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.61 -46.86 9.71 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 127.554 2.342 . . . . 0.0 113.669 170.324 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -78.76 -6.07 54.93 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.78 -14.43 62.95 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.975 1.31 . . . . 0.0 114.021 170.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.321 0 N-CA-C 118.208 2.67 . . . . 0.0 118.208 -166.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 90.5 mt . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 118.046 -0.978 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -77.48 -36.09 53.06 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 121.746 2.066 . . . . 0.0 114.06 -163.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 p -66.34 -18.24 65.24 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.268 1.427 . . . . 0.0 114.081 169.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -98.16 -45.48 6.2 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 126.13 1.772 . . . . 0.0 109.713 -173.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -62.84 -29.89 71.08 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 124.085 0.954 . . . . 0.0 112.356 172.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -65.09 -38.52 91.01 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.729 1.15 . . . . 0.0 111.414 174.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -67.0 -44.31 80.68 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 111.466 0.173 . . . . 0.0 111.466 173.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.57 -40.31 96.63 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.435 ' HE ' ' CD2' ' A' ' 50' ' ' LEU . 6.8 ptm180 -65.7 -41.11 92.74 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.299 -0.876 . . . . 0.0 111.117 172.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -61.3 -41.4 96.92 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 118.633 -0.699 . . . . 0.0 111.645 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -57.51 -48.29 79.67 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 122.831 0.452 . . . . 0.0 112.173 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.0 m -72.07 -28.73 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 177.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -66.22 -35.73 81.19 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.051 1.296 . . . . 0.0 112.497 168.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.432 ' HA ' ' HE3' ' A' ' 17' ' ' LYS . 55.6 mt-10 -73.16 -38.47 66.21 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.15 -0.969 . . . . 0.0 112.316 175.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -66.41 -42.71 87.39 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.93 0.786 . . . . 0.0 112.004 173.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.7 t -60.27 -51.63 70.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-O 117.588 -1.196 . . . . 0.0 110.827 171.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 14' ' ' GLU . 11.2 ptpt -66.1 -33.15 75.12 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 121.463 1.938 . . . . 0.0 112.851 -177.019 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -60.17 -47.19 86.96 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.471 1.108 . . . . 0.0 110.259 172.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.6 mm -79.73 -31.23 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 123.601 0.76 . . . . 0.0 111.719 -173.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.7 t -61.3 -48.27 89.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.41 1.084 . . . . 0.0 109.995 165.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.85 -43.8 97.66 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 124.101 0.858 . . . . 0.0 113.008 175.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -60.51 -37.5 81.35 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.792 1.237 . . . . 0.0 113.037 172.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.5 p -57.57 -41.56 81.33 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.429 1.013 . . . . 0.0 111.816 -175.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -75.1 -38.02 61.3 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.067 0.947 . . . . 0.0 112.195 172.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.71 -29.01 69.99 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -80.69 -5.42 57.0 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 120.945 -1.097 . . . . 0.0 113.641 170.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.9 m -123.75 179.05 4.94 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.462 1.505 . . . . 0.0 112.977 -165.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.6 p -133.21 172.64 12.4 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.448 1.499 . . . . 0.0 109.953 174.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -59.54 -22.83 62.25 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 120.54 -1.35 . . . . 0.0 112.924 177.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -65.87 -22.73 66.55 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.338 1.455 . . . . 0.0 113.754 170.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -105.81 3.38 28.67 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 126.598 1.959 . . . . 0.0 114.021 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 -50.58 -38.71 46.94 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.563 1.945 . . . . 0.0 114.603 -169.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 m -74.97 -28.04 60.4 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.078 -1.014 . . . . 0.0 113.406 178.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.9 mt -70.34 -43.28 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.538 0.735 . . . . 0.0 109.36 173.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 p -61.51 -45.46 94.1 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 118.456 -0.783 . . . . 0.0 112.283 177.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.4 p -64.71 -30.68 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 CA-C-N 119.996 1.271 . . . . 0.0 112.444 177.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.94 -42.76 84.76 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 119.63 1.105 . . . . 0.0 113.091 174.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.6 tp -64.91 -37.5 87.85 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.256 -0.902 . . . . 0.0 111.571 171.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.1 t -71.11 -34.79 56.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 O-C-N 120.972 -1.08 . . . . 0.0 112.403 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -56.7 -40.85 76.35 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.758 0.823 . . . . 0.0 110.984 168.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -73.58 -42.76 61.15 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 123.345 0.658 . . . . 0.0 112.054 177.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.9 mt -59.15 -39.21 81.74 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 120.283 -1.51 . . . . 0.0 112.374 176.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -62.81 -35.71 80.77 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.581 0.752 . . . . 0.0 112.316 169.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -66.89 -43.89 82.29 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.524 0.73 . . . . 0.0 110.34 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.9 mt -60.76 -47.27 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 118.671 0.669 . . . . 0.0 110.276 171.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -53.22 -47.48 68.93 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.404 0.547 . . . . 0.0 111.581 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -77.17 -43.64 33.14 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.803 0.841 . . . . 0.0 112.493 -175.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -51.78 -45.06 63.66 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.536 0.734 . . . . 0.0 111.686 172.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -84.58 -31.04 24.54 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 117.964 -1.017 . . . . 0.0 112.804 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.435 ' CD2' ' HE ' ' A' ' 9' ' ' ARG . 7.6 mt -52.64 -47.61 66.95 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 120.866 1.666 . . . . 0.0 111.332 169.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -61.38 -41.92 97.87 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.123 0.569 . . . . 0.0 112.109 177.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -73.99 -21.21 60.08 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.069 0.948 . . . . 0.0 113.414 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.7 mt -84.98 -42.91 16.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 124.555 1.142 . . . . 0.0 110.948 175.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.8 p -68.49 -28.1 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 CA-C-N 119.92 1.236 . . . . 0.0 112.531 174.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -111.92 27.05 10.01 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 177.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.1 t -76.49 152.6 36.04 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.394 0.616 . . . . 0.0 109.871 162.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.6 t -121.54 -1.15 9.61 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.304 1.041 . . . . 0.0 113.049 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.6 m -130.05 126.58 38.0 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.792 1.637 . . . . 0.0 110.326 -176.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -70.57 -22.08 62.61 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.196 -0.94 . . . . 0.0 113.022 -172.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.2 p -60.28 -56.08 25.9 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 125.91 1.684 . . . . 0.0 111.174 166.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -62.79 -35.23 79.17 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.836 1.254 . . . . 0.0 112.445 -174.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.9 mt -51.35 -42.79 61.55 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.805 0.73 . . . . 0.0 111.996 172.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -75.41 -35.82 60.95 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.7 mm -70.4 -33.93 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 120.618 -1.301 . . . . 0.0 112.766 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.5 mt -55.68 -26.87 47.09 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.992 -1.067 . . . . 0.0 113.046 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 38.9 mtm -68.69 -21.66 64.41 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 172.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 33.9 mtm -98.68 -34.38 10.57 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 126.014 1.726 . . . . 0.0 111.884 177.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -65.86 -47.33 75.27 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.491 0.716 . . . . 0.0 112.056 172.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.1 t -60.21 -43.05 96.27 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.391 -0.818 . . . . 0.0 111.477 173.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.0 mtm180 -60.71 -39.39 88.4 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.188 -0.945 . . . . 0.0 113.234 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.6 m -55.4 -46.7 76.59 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.485 0.714 . . . . 0.0 111.418 171.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -70.95 -27.8 64.01 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.7 t -72.16 -41.2 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 120.999 -1.063 . . . . 0.0 111.084 172.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -62.58 -36.66 83.4 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.725 0.693 . . . . 0.0 111.41 171.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -62.2 -49.31 76.31 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.056 -1.027 . . . . 0.0 112.191 169.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.17 94.94 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.422 -0.799 . . . . 0.0 111.821 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.13 -54.36 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.268 0.627 . . . . 0.0 110.124 173.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.4 t -65.62 -19.23 65.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 117.94 -1.029 . . . . 0.0 113.452 -175.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -75.0 -57.43 3.91 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.722 1.609 . . . . 0.0 111.728 168.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -72.51 -22.37 61.05 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -171.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.12 -10.02 36.88 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.807 1.643 . . . . 0.0 115.133 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? . . . . . 0 C--O 1.251 1.139 0 C-N-CA 124.337 1.055 . . . . 0.0 113.151 177.655 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 N--CA 1.485 1.301 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -61.2 -30.34 70.36 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -177.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.5 p -81.94 -30.84 31.58 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.227 0.922 . . . . 0.0 112.203 170.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.3 -46.46 89.78 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.059 1.344 . . . . 0.0 111.567 174.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -24.57 60.94 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.444 0.698 . . . . 0.0 112.238 -177.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.25 -33.55 43.46 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.896 1.278 . . . . 0.0 113.92 176.063 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -77.13 -39.16 50.29 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.056 0.844 . . . . 0.0 111.912 169.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.31 -46.73 82.92 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.402 0.681 . . . . 0.0 112.54 175.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -65.78 -36.69 84.26 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.489 -0.757 . . . . 0.0 112.702 178.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -66.86 -41.46 87.3 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.92 0.888 . . . . 0.0 111.009 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -63.61 -45.04 92.12 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.237 0.615 . . . . 0.0 112.46 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.3 m -72.11 -29.4 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.11 -46.77 87.47 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.317 0.962 . . . . 0.0 110.647 165.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -63.79 -43.22 96.96 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 176.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -65.11 -45.38 85.39 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.836 0.743 . . . . 0.0 111.275 178.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 49.5 t -66.21 -49.32 76.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 117.85 -1.071 . . . . 0.0 111.435 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -62.59 -33.71 75.52 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.793 1.633 . . . . 0.0 112.274 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -67.58 -47.34 70.03 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.305 0.502 . . . . 0.0 110.037 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.9 mm -68.0 -31.71 53.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 C-N-CA 123.582 0.753 . . . . 0.0 111.508 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.4 t -61.77 -43.71 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.449 1.099 . . . . 0.0 111.607 168.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.6 -44.77 94.57 Favored Glycine 0 CA--C 1.534 1.269 0 CA-C-N 118.829 0.74 . . . . 0.0 112.804 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -62.74 -33.62 75.53 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.724 -0.868 . . . . 0.0 112.593 176.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.3 t -57.71 -44.12 85.7 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.67 1.188 . . . . 0.0 111.957 174.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -71.66 -40.53 69.59 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.107 -0.995 . . . . 0.0 112.292 171.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.25 -10.71 56.55 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.1 ptmm? -118.32 9.81 12.59 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.484 1.514 . . . . 0.0 114.929 176.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.0 p -126.42 -176.48 3.68 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.389 1.476 . . . . 0.0 110.741 171.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 p -129.89 165.19 22.55 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.124 -0.985 . . . . 0.0 110.937 174.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -50.22 -28.71 8.05 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.256 1.422 . . . . 0.0 113.482 174.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.3 -34.13 77.6 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.428 0.691 . . . . 0.0 112.408 177.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.8 mmm-85 -98.73 12.05 36.71 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.02 1.328 . . . . 0.0 113.518 -173.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -50.62 -33.01 20.61 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.718 1.607 . . . . 0.0 114.885 -166.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 36.1 m -60.95 -40.68 94.21 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.13 0.972 . . . . 0.0 113.058 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.6 mt -69.35 -41.95 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.708 0.803 . . . . 0.0 109.491 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m -60.23 -45.27 93.8 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.612 0.765 . . . . 0.0 111.021 175.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.2 t -64.41 -39.63 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 124.268 1.027 . . . . 0.0 112.098 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.3 87.0 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.322 0.965 . . . . 0.0 111.738 174.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.3 tp -64.48 -39.79 94.46 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.842 -0.536 . . . . 0.0 112.002 176.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.6 t -67.07 -38.22 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.156 0.983 . . . . 0.0 112.3 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -68.22 -34.84 77.0 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.599 -0.688 . . . . 0.0 111.882 173.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -73.17 -41.49 63.82 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.983 0.81 . . . . 0.0 112.202 175.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 mt -51.16 -41.37 60.11 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.185 1.394 . . . . 0.0 111.82 168.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -75.09 -23.75 58.04 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 174.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -67.55 -46.14 73.63 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 120.545 1.52 . . . . 0.0 109.624 170.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.2 mt -62.54 -42.08 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 123.065 0.546 . . . . 0.0 110.406 174.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -59.27 -49.16 78.92 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.227 0.922 . . . . 0.0 111.74 173.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.96 -49.84 67.85 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.288 1.435 . . . . 0.0 112.394 174.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -65.15 -40.93 95.04 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.937 0.895 . . . . 0.0 111.658 -176.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -85.48 -26.7 26.12 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.304 -0.855 . . . . 0.0 112.67 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 33.6 mt -58.21 -45.05 88.35 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 120.199 1.363 . . . . 0.0 110.918 163.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -59.34 -42.53 91.71 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.265 0.484 . . . . 0.0 111.504 174.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -68.29 -30.25 69.21 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.417 -0.802 . . . . 0.0 113.088 177.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.4 mt -85.37 -34.12 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 124.632 1.173 . . . . 0.0 111.572 -176.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.3 p -75.32 -41.14 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 121.099 -1.001 . . . . 0.0 111.498 169.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -97.98 25.52 5.96 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.782 1.233 . . . . 0.0 113.189 -176.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t -74.2 134.46 42.75 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 121.282 -0.886 . . . . 0.0 109.717 166.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 t -91.36 -7.26 51.38 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.788 0.835 . . . . 0.0 112.628 167.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.5 m -123.62 132.09 53.78 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.059 1.744 . . . . 0.0 111.274 -169.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -74.36 -57.7 3.77 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -172.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.5 m -68.6 -20.86 64.52 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.497 1.499 . . . . 0.0 112.56 -174.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -56.56 -34.69 67.35 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.482 1.113 . . . . 0.0 112.044 168.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.1 mt -57.89 -34.51 69.88 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.934 0.894 . . . . 0.0 111.984 174.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -75.47 -36.31 60.69 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 122.619 0.368 . . . . 0.0 111.262 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 20.0 mm -73.01 -34.75 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 O-C-N 121.1 -1.0 . . . . 0.0 112.083 177.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.1 mt -56.16 -25.98 48.61 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.959 0.904 . . . . 0.0 112.857 174.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 41.7 mtm -65.55 -43.41 89.97 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.149 0.886 . . . . 0.0 112.403 170.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 42.6 mtm -77.6 -36.15 52.12 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.139 -0.976 . . . . 0.0 112.156 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -64.95 -47.58 77.15 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 121.611 -0.681 . . . . 0.0 112.075 172.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.2 p -63.64 -37.27 86.71 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 118.851 -0.595 . . . . 0.0 112.334 176.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -56.81 -47.61 79.85 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.345 1.058 . . . . 0.0 111.819 170.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.3 t -65.25 -36.14 83.21 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.32 0.648 . . . . 0.0 112.414 177.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -69.49 -41.51 76.03 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.651 1.181 . . . . 0.0 112.087 176.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.2 -49.95 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.652 1.181 . . . . 0.0 111.139 172.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -72.82 -12.85 61.15 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -75.69 -44.44 42.2 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.12 -0.987 . . . . 0.0 112.039 165.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.49 -41.17 98.62 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.469 0.577 . . . . 0.0 110.863 175.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.7 t -58.12 -59.49 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 118.391 0.542 . . . . 0.0 110.241 169.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.1 t -50.17 -38.09 37.94 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.317 1.047 . . . . 0.0 113.534 -177.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -86.12 -38.21 18.0 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.33 1.052 . . . . 0.0 113.393 -177.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -71.72 -27.15 62.81 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 120.416 1.462 . . . . 0.0 112.701 174.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -61.19 -11.38 8.96 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.303 1.441 . . . . 0.0 114.33 173.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 92.5 mttt . . . . . 0 C--O 1.25 1.079 0 C-N-CA 126.329 1.851 . . . . 0.0 112.317 -175.316 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 113.348 0.869 . . . . 0.0 113.348 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.418 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 7.5 p-10 -45.94 -47.12 16.46 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 128.875 2.87 . . . . 0.0 114.804 171.5 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 p -61.48 -39.21 90.1 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.062 1.745 . . . . 0.0 111.727 173.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -71.52 -45.08 63.4 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.557 1.143 . . . . 0.0 111.841 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.418 ' HG3' ' HA ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER -68.84 -19.9 64.28 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.124 -0.985 . . . . 0.0 113.512 177.752 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -79.35 -45.01 20.43 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.165 0.586 . . . . 0.0 112.549 170.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -72.85 -37.87 67.25 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.286 -0.884 . . . . 0.0 112.514 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.56 98.62 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.915 1.286 . . . . 0.0 113.091 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.44 ' HB2' HD23 ' A' ' 50' ' ' LEU . 8.9 ptm85 -65.72 -34.81 79.05 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 118.942 -0.552 . . . . 0.0 111.29 174.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -61.69 -50.15 73.63 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 118.259 -0.876 . . . . 0.0 111.612 172.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -54.29 -44.17 71.71 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.05 0.94 . . . . 0.0 112.478 -176.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.8 m -68.98 -33.73 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 O-C-N 121.232 -0.917 . . . . 0.0 113.365 174.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -67.83 -31.62 71.59 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 120.963 -1.086 . . . . 0.0 113.139 170.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.9 -38.99 87.29 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.199 1.363 . . . . 0.0 111.413 173.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -74.57 -46.13 40.78 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.988 -0.445 . . . . 0.0 112.074 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.5 t -61.26 -43.86 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 120.939 -1.1 . . . . 0.0 111.075 176.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -65.68 -31.47 72.5 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 120.489 1.495 . . . . 0.0 113.197 178.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -64.72 -53.12 52.3 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 118.587 0.63 . . . . 0.0 109.686 175.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.5 mm -67.86 -37.45 78.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 124.086 0.955 . . . . 0.0 111.327 -175.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.8 t -61.79 -46.19 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 O-C-N 121.287 -0.883 . . . . 0.0 111.218 170.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.22 -44.55 97.55 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 118.763 0.71 . . . . 0.0 113.289 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -67.51 -36.0 80.19 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 117.776 0.788 . . . . 0.0 112.392 176.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.1 t -60.1 -48.8 80.22 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.403 1.081 . . . . 0.0 111.642 172.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.407 ' CE2' HG21 ' A' ' 39' ' ' VAL . 3.8 m-85 -62.42 -27.71 69.29 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.93 -32.96 26.93 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 176.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -86.81 -20.68 27.2 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 120.301 1.41 . . . . 0.0 113.578 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.1 t -49.06 149.28 1.99 Allowed 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 126.808 2.043 . . . . 0.0 112.287 164.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 62.0 m -154.26 152.99 30.95 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.88 1.272 . . . . 0.0 109.74 175.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -53.37 -26.1 18.02 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 116.28 1.955 . . . . 0.0 116.28 -169.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -66.02 -18.9 65.64 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.932 1.693 . . . . 0.0 113.789 173.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -130.91 19.55 5.02 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.969 1.707 . . . . 0.0 113.92 -173.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -57.18 -33.49 67.52 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -167.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.1 p -60.7 -38.01 83.6 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.539 1.136 . . . . 0.0 113.226 172.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.2 mt -69.19 -40.05 80.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 123.732 0.813 . . . . 0.0 110.038 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.6 m -59.2 -53.33 59.5 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.867 0.467 . . . . 0.0 110.912 174.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.5 p -65.58 -31.84 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 118.709 0.686 . . . . 0.0 111.99 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.94 -50.35 68.99 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.269 0.941 . . . . 0.0 112.514 172.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.0 tp -66.37 -35.58 80.7 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.959 0.8 . . . . 0.0 112.108 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.407 HG21 ' CE2' ' A' ' 24' ' ' TYR . 44.8 t -65.08 -39.13 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 121.226 -0.921 . . . . 0.0 111.806 175.336 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -67.27 -39.5 86.07 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 118.865 -0.588 . . . . 0.0 111.628 171.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -64.15 -42.04 96.93 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.132 0.878 . . . . 0.0 111.69 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.6 mt -57.1 -44.04 82.85 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.892 1.277 . . . . 0.0 112.374 172.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -72.49 -25.31 61.37 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 117.832 -1.08 . . . . 0.0 113.233 174.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -68.45 -48.34 64.79 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 126.618 1.967 . . . . 0.0 109.935 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.6 mt -62.36 -46.03 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.857 -0.527 . . . . 0.0 109.964 171.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -57.14 -49.22 76.59 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 118.607 0.639 . . . . 0.0 111.578 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -59.53 -49.22 78.61 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.777 2.031 . . . . 0.0 112.383 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -60.04 -50.6 73.09 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.386 1.074 . . . . 0.0 111.213 174.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -75.33 -33.18 61.11 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 120.83 -1.169 . . . . 0.0 112.414 -174.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.44 HD23 ' HB2' ' A' ' 9' ' ' ARG . 41.4 mt -53.82 -43.33 69.3 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.883 1.22 . . . . 0.0 110.745 166.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -70.07 -40.95 74.74 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.856 0.862 . . . . 0.0 112.268 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -66.26 -34.95 79.16 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 121.208 -0.932 . . . . 0.0 112.096 177.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 68.7 mt -74.36 -43.35 49.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 124.446 1.098 . . . . 0.0 111.092 -177.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.73 -33.57 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 119.688 1.131 . . . . 0.0 112.05 174.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -82.66 1.11 40.05 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 t -74.67 161.68 29.44 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 120.638 -1.289 . . . . 0.0 112.497 -174.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.6 t -109.89 -27.58 9.19 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -166.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.8 m -145.09 138.25 26.53 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.111 0.964 . . . . 0.0 112.571 -168.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -57.46 -33.72 68.26 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.247 1.819 . . . . 0.0 114.13 -177.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.9 p -59.71 -54.77 42.51 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.896 1.278 . . . . 0.0 111.985 172.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -68.82 -30.89 69.54 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.478 -0.764 . . . . 0.0 111.649 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.1 mt -59.58 -40.33 87.03 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.185 0.994 . . . . 0.0 112.568 171.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -64.88 -41.86 95.28 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 118.806 0.73 . . . . 0.0 111.666 172.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.4 mm -69.81 -34.1 59.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 O-C-N 120.597 -1.314 . . . . 0.0 112.283 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.2 mt -56.71 -27.37 58.9 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.456 0.909 . . . . 0.0 113.456 175.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 41.6 mtm -62.81 -52.51 62.88 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.512 0.596 . . . . 0.0 111.549 170.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 34.5 mtm -69.39 -36.13 76.47 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 124.129 0.971 . . . . 0.0 112.198 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -60.59 -50.78 72.17 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.033 0.833 . . . . 0.0 111.578 171.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.3 t -65.5 -36.25 83.28 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.593 -0.692 . . . . 0.0 111.57 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -67.22 -47.17 71.64 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.309 0.959 . . . . 0.0 112.507 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.0 t -55.04 -48.17 73.8 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.476 1.51 . . . . 0.0 110.876 173.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -72.5 -27.25 62.15 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.395 -0.816 . . . . 0.0 112.594 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.9 t -66.49 -46.78 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 119.372 0.987 . . . . 0.0 111.42 167.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -65.38 -31.1 72.03 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 122.963 0.505 . . . . 0.0 111.972 176.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -67.03 -39.17 86.96 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.442 1.097 . . . . 0.0 112.333 169.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.66 80.71 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 120.896 -1.128 . . . . 0.0 111.425 175.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.52 -54.55 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.264 0.625 . . . . 0.0 109.798 167.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.8 t -59.23 -39.65 83.41 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.097 0.862 . . . . 0.0 112.655 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -56.92 -32.58 66.09 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.838 1.655 . . . . 0.0 113.006 173.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -97.13 -27.66 14.47 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.532 1.133 . . . . 0.0 113.815 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -74.22 -20.66 60.11 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.408 1.083 . . . . 0.0 113.681 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.2 mttp . . . . . 0 C--O 1.247 0.966 0 C-N-CA 125.567 1.547 . . . . 0.0 113.178 178.247 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 N--CA 1.483 1.221 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.476 ' HA ' ' HG2' ' A' ' 5' ' ' ARG . 27.4 t70 -63.71 -38.12 89.91 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.955 1.302 . . . . 0.0 113.751 -174.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -74.49 -26.88 60.29 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.737 -1.227 . . . . 0.0 111.922 171.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -66.95 -43.32 83.46 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 120.375 -1.453 . . . . 0.0 111.783 172.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.476 ' HG2' ' HA ' ' A' ' 2' ' ' ASP . 6.5 ptp85 -67.67 -31.24 71.08 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 119.14 -0.457 . . . . 0.0 111.507 173.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -63.65 -48.74 76.0 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 124.13 0.972 . . . . 0.0 111.907 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -57.22 -46.27 83.07 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.75 0.82 . . . . 0.0 110.562 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.7 -47.6 77.77 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -63.94 -40.07 95.6 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.63 1.105 . . . . 0.0 111.961 179.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -63.35 -40.39 97.16 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.647 0.658 . . . . 0.0 112.537 177.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -68.16 -44.75 75.28 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 m -70.42 -31.13 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 175.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.69 -49.52 77.16 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 118.995 0.816 . . . . 0.0 110.656 168.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -60.67 -39.49 88.6 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 119.54 1.063 . . . . 0.0 112.902 174.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -63.51 -41.39 98.52 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.556 1.071 . . . . 0.0 111.911 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.6 t -68.64 -47.1 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 O-C-N 121.047 -1.033 . . . . 0.0 111.567 172.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -61.93 -31.77 72.12 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 120.397 1.453 . . . . 0.0 112.502 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -63.52 -55.95 19.93 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.941 1.296 . . . . 0.0 110.542 169.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.0 mm -72.33 -24.73 22.39 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 123.368 0.667 . . . . 0.0 112.436 -170.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.4 t -63.05 -45.59 98.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 O-C-N 120.587 -1.321 . . . . 0.0 110.926 164.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.7 -33.97 82.03 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.049 0.833 . . . . 0.0 113.8 176.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -61.26 -48.08 83.07 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 121.433 -1.039 . . . . 0.0 110.728 165.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.8 m -63.78 -34.89 78.91 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.118 -0.989 . . . . 0.0 112.955 -175.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -69.94 -39.09 76.29 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.396 -0.815 . . . . 0.0 112.765 170.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.05 -33.93 76.91 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.385 0.993 . . . . 0.0 113.183 174.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -84.53 12.92 6.13 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.933 2.093 . . . . 0.0 113.369 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.2 p -143.61 -157.12 0.75 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.281 1.032 . . . . 0.0 112.477 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -150.97 151.69 32.46 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.621 1.568 . . . . 0.0 109.253 -167.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -59.24 -39.66 83.47 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 120.102 -1.623 . . . . 0.0 112.461 174.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -58.98 -18.04 30.41 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.282 1.433 . . . . 0.0 113.447 170.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -111.87 8.93 20.59 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 127.866 2.466 . . . . 0.0 113.988 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.3 p-80 -52.3 -31.22 31.98 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -175.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.2 m -57.67 -37.74 73.93 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.601 1.091 . . . . 0.0 111.8 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.9 mm -72.93 -45.99 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 124.969 1.308 . . . . 0.0 109.547 177.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.87 -42.38 97.53 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.543 0.737 . . . . 0.0 111.622 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -61.88 -33.59 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.241 1.417 . . . . 0.0 111.502 177.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.21 -49.7 63.55 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.562 1.073 . . . . 0.0 112.061 172.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.8 tp -61.74 -36.97 82.54 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.401 0.68 . . . . 0.0 112.173 177.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.9 t -73.84 -34.34 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.35 1.06 . . . . 0.0 112.423 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -59.82 -42.44 93.52 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.352 0.524 . . . . 0.0 110.936 168.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -69.05 -44.2 73.12 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 122.661 0.384 . . . . 0.0 111.53 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.6 mt -55.86 -38.3 69.93 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 120.608 -1.308 . . . . 0.0 112.519 172.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -68.11 -36.7 80.18 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.459 -0.776 . . . . 0.0 112.814 170.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -67.38 -44.59 78.54 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.607 0.763 . . . . 0.0 109.819 -176.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 68.2 mt -61.86 -47.21 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 124.217 1.007 . . . . 0.0 110.637 173.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -55.69 -51.49 67.09 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 118.789 0.722 . . . . 0.0 111.449 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -85.35 -19.48 31.38 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -168.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -59.07 -54.62 44.95 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 157.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.403 ' CD2' ' HB3' ' A' ' 69' ' ' SER . 11.9 m-85 -68.97 -28.03 66.25 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 118.275 -0.869 . . . . 0.0 113.336 -175.123 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.3 mt -57.2 -36.32 70.7 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 120.137 1.335 . . . . 0.0 112.176 167.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -71.11 -46.03 62.5 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.252 0.933 . . . . 0.0 111.741 169.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.0 mtpt -61.95 -25.99 67.93 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 121.006 -1.059 . . . . 0.0 112.729 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.7 mt -92.05 -42.68 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 126.921 2.089 . . . . 0.0 111.571 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 p -65.95 -35.54 75.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.996 1.271 . . . . 0.0 111.625 174.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -85.74 7.02 25.24 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 176.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.427 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -80.97 151.43 28.49 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 122.216 1.007 . . . . 0.0 111.976 168.304 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.0 t -137.26 0.88 2.37 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.504 1.522 . . . . 0.0 112.689 -168.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 m -140.64 121.49 14.47 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.008 1.323 . . . . 0.0 111.72 -169.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -61.02 -44.38 97.5 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -172.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.9 m -71.1 -9.98 58.99 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -177.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -96.76 -40.2 9.08 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.434 1.093 . . . . 0.0 111.774 168.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.427 HD21 ' HB3' ' A' ' 56' ' ' SER . 11.4 mt -52.41 -43.25 64.68 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.141 1.376 . . . . 0.0 113.103 177.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -65.89 -22.66 66.53 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.7 mm -84.11 -31.74 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 O-C-N 120.732 -1.23 . . . . 0.0 112.755 177.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.02 -29.6 44.26 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.226 0.921 . . . . 0.0 111.821 172.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 56.4 mtm -58.01 -51.03 71.34 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.278 0.631 . . . . 0.0 112.107 170.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 30.1 mtm -70.8 -42.25 70.56 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.589 1.156 . . . . 0.0 112.706 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -58.79 -35.35 72.67 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.781 0.833 . . . . 0.0 112.201 174.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.403 ' HB3' ' CD2' ' A' ' 49' ' ' TYR . 10.5 p -72.99 -41.44 64.33 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 171.056 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -65.52 -36.77 84.81 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.747 1.219 . . . . 0.0 112.641 -174.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.8 t -55.85 -49.4 73.43 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.774 0.671 . . . . 0.0 111.004 168.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -66.3 -37.54 85.66 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.711 0.804 . . . . 0.0 113.013 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.85 -46.32 85.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 118.611 0.641 . . . . 0.0 111.033 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.09 -28.72 64.54 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.779 -0.629 . . . . 0.0 112.145 173.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -67.46 -37.72 83.36 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.771 1.169 . . . . 0.0 113.183 174.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.37 -44.38 92.74 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.254 0.622 . . . . 0.0 110.716 173.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 24.0 t -66.16 -41.14 88.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 121.785 -0.572 . . . . 0.0 110.888 171.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.18 -33.69 63.22 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.953 1.701 . . . . 0.0 112.545 178.262 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -71.26 -38.98 71.85 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.616 1.166 . . . . 0.0 112.892 173.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -83.36 -21.34 33.14 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -176.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -94.04 7.51 44.86 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -173.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 116.906 -1.521 . . . . 0.0 114.267 169.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 N--CA 1.482 1.166 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.406 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 8.7 t0 -86.88 -42.35 13.29 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 120.134 1.334 . . . . 0.0 111.74 -175.311 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 p -59.94 -19.63 53.01 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.152 -0.968 . . . . 0.0 113.059 165.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.79 -58.48 3.24 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.324 1.45 . . . . 0.0 112.33 168.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.556 ' HB3' HD13 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -63.05 -26.55 68.89 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.146 -0.972 . . . . 0.0 113.081 -176.432 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -67.91 -28.06 67.18 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 173.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -78.36 -44.34 25.31 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 122.604 0.362 . . . . 0.0 110.334 169.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.42 -41.95 77.22 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.281 1.032 . . . . 0.0 112.686 -177.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -66.42 -32.16 73.36 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -81.64 -36.1 29.23 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 124.776 1.23 . . . . 0.0 111.531 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -56.27 -42.96 78.29 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.264 1.026 . . . . 0.0 111.971 173.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.1 m -72.37 -27.45 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 176.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -64.99 -40.8 95.5 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.459 1.027 . . . . 0.0 111.852 165.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -71.89 -14.25 61.89 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -80.82 -59.49 2.65 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.367 -0.833 . . . . 0.0 110.708 159.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.45 HG13 ' HB3' ' A' ' 42' ' ' LEU . 11.1 t -54.16 -51.69 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 124.167 0.987 . . . . 0.0 113.09 -176.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -63.83 -34.88 78.92 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 120.464 1.484 . . . . 0.0 112.463 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -72.58 -45.55 58.6 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.392 0.677 . . . . 0.0 110.489 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.2 mm -61.92 -35.99 71.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 124.604 1.161 . . . . 0.0 111.028 176.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.441 HG22 HG22 ' A' ' 39' ' ' VAL . 35.1 t -60.96 -52.69 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.895 0.878 . . . . 0.0 111.105 168.225 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.31 -40.31 97.28 Favored Glycine 0 CA--C 1.537 1.414 0 CA-C-N 119.154 0.888 . . . . 0.0 113.894 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -74.96 -31.04 61.38 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.254 -1.145 . . . . 0.0 112.196 175.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 t -77.24 -6.5 53.31 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 120.462 -1.399 . . . . 0.0 114.079 170.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -85.16 -31.65 23.14 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.356 0.98 . . . . 0.0 111.803 157.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.44 -34.07 75.33 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.558 1.072 . . . . 0.0 113.494 176.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . 0.323 21.5 pttp -87.44 18.74 3.66 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 170.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.4 m -129.6 179.58 5.74 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.99 1.716 . . . . 0.0 111.668 177.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.2 m -129.22 155.53 45.4 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 126.012 1.725 . . . . 0.0 108.816 168.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -45.74 -46.17 14.92 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.036 1.334 . . . . 0.0 113.839 174.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.37 -34.76 64.57 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 120.969 -1.082 . . . . 0.0 113.61 173.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -93.64 11.0 30.42 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.735 2.014 . . . . 0.0 113.867 176.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -51.58 -32.51 28.76 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.93 1.241 . . . . 0.0 112.511 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.69 -42.59 11.81 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 127.983 2.513 . . . . 0.0 112.762 174.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.1 mt -70.04 -47.05 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.244 1.018 . . . . 0.0 110.042 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.5 m -68.18 -35.22 77.68 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.81 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 49.8 t -64.28 -43.61 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 CA-C-N 120.467 1.485 . . . . 0.0 111.044 174.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.06 85.78 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.789 -0.569 . . . . 0.0 112.486 175.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.9 tp -74.31 -35.34 63.66 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.583 0.753 . . . . 0.0 112.777 173.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.441 HG22 HG22 ' A' ' 20' ' ' VAL . 22.9 t -59.32 -43.56 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 120.474 1.488 . . . . 0.0 110.78 173.037 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.52 -34.75 76.05 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.172 0.589 . . . . 0.0 111.807 176.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -74.39 -46.08 42.7 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.782 0.833 . . . . 0.0 112.295 173.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.45 ' HB3' HG13 ' A' ' 16' ' ' VAL . 77.4 mt -57.76 -39.25 76.98 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.429 -1.419 . . . . 0.0 111.085 177.417 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -69.49 -31.79 70.27 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 117.735 -1.126 . . . . 0.0 113.775 171.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -62.79 -50.5 70.76 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.324 1.45 . . . . 0.0 110.448 174.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.1 mt -62.6 -47.45 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 118.109 0.413 . . . . 0.0 110.236 175.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -53.97 -47.12 71.7 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.769 0.827 . . . . 0.0 111.63 176.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -66.41 -47.19 74.06 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.818 1.647 . . . . 0.0 112.353 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -60.51 -42.1 95.71 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.734 -0.604 . . . . 0.0 111.266 176.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -78.11 -35.92 48.6 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 118.304 -0.855 . . . . 0.0 111.802 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.5 mt -50.77 -45.95 59.27 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.319 1.418 . . . . 0.0 111.208 166.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -71.41 -40.06 70.71 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.102 0.561 . . . . 0.0 111.799 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -60.57 -36.58 78.85 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.321 -0.862 . . . . 0.0 112.442 171.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.1 mt -81.45 -27.86 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 123.618 0.767 . . . . 0.0 112.084 -171.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.8 p -77.06 -37.54 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 O-C-N 121.062 -1.024 . . . . 0.0 112.354 165.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -95.09 -1.59 51.77 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -172.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.1 t -63.44 145.81 54.86 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 121.025 -1.047 . . . . 0.0 110.752 175.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.8 t -115.2 14.0 16.86 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.426 1.49 . . . . 0.0 111.873 175.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 m -134.89 112.84 10.99 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.684 1.594 . . . . 0.0 110.766 -174.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.481 ' HA ' HD12 ' A' ' 62' ' ' LEU . 18.6 pt-20 -71.9 -28.42 63.48 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -178.044 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.8 p -61.35 -55.92 26.21 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.248 1.019 . . . . 0.0 110.772 169.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -55.9 -37.01 68.31 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.548 1.139 . . . . 0.0 112.188 176.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.556 HD13 ' HB3' ' A' ' 5' ' ' ARG . 27.5 mt -56.58 -40.22 74.84 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.391 0.996 . . . . 0.0 112.959 177.266 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -75.93 -35.27 59.81 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.574 0.625 . . . . 0.0 112.305 176.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.4 mm -70.72 -32.78 50.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 O-C-N 120.731 -1.23 . . . . 0.0 111.989 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.9 mt -55.16 -28.43 52.79 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.143 0.977 . . . . 0.0 112.67 175.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 49.6 mtm -64.3 -47.16 80.53 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.133 0.878 . . . . 0.0 112.106 171.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 12.3 mmt -71.43 -38.74 71.34 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.814 1.246 . . . . 0.0 111.262 -178.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -61.7 -52.2 65.27 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.143 0.977 . . . . 0.0 111.448 171.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -40.18 93.99 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.652 1.115 . . . . 0.0 111.543 177.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -55.01 -51.82 65.07 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.003 0.921 . . . . 0.0 111.07 172.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.4 t -69.3 -34.4 74.64 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -65.64 -40.71 92.8 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.352 1.061 . . . . 0.0 110.833 175.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.446 HG13 ' CD2' ' A' ' 42' ' ' LEU . 17.8 t -64.36 -47.37 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.459 1.504 . . . . 0.0 111.64 172.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -61.68 -41.23 97.28 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.311 0.645 . . . . 0.0 111.421 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -65.84 -39.83 91.19 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.668 -0.645 . . . . 0.0 111.84 172.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.59 -36.53 83.03 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 119.534 1.061 . . . . 0.0 112.01 177.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.5 t -61.16 -51.4 73.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 118.653 0.661 . . . . 0.0 110.301 169.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.0 t -60.24 -35.59 75.82 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.544 0.738 . . . . 0.0 112.895 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -66.55 -15.08 63.14 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.478 1.911 . . . . 0.0 113.344 175.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -105.48 -12.79 15.85 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.617 1.967 . . . . 0.0 113.922 170.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -73.6 -19.59 60.83 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 120.058 -1.651 . . . . 0.0 114.093 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.94 0 C-N-CA 125.441 1.496 . . . . 0.0 113.504 -176.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 10.4 mp . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 119.094 -0.479 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -68.9 -38.75 79.82 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -173.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 m -62.47 -26.96 68.8 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.315 -1.491 . . . . 0.0 112.223 166.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.36 -38.05 65.84 Favored 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 124.065 0.946 . . . . 0.0 112.735 175.184 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.518 ' HA ' HD22 ' A' ' 62' ' ' LEU . 26.4 ptt180 -72.08 -32.2 66.8 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 118.743 -0.646 . . . . 0.0 111.42 172.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -72.02 -42.37 66.46 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 178.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -64.45 -41.43 96.55 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.925 172.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.97 -48.79 75.05 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -63.26 -38.25 90.43 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.32 -0.863 . . . . 0.0 112.156 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -66.65 -39.77 88.38 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.607 0.763 . . . . 0.0 111.982 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -63.55 -44.38 94.35 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.174 1.39 . . . . 0.0 112.609 177.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.1 m -77.84 -29.25 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 121.273 -0.892 . . . . 0.0 112.072 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -58.43 -54.12 50.62 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.925 1.29 . . . . 0.0 111.695 167.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.46 -35.63 81.07 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.41 0.55 . . . . 0.0 112.462 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -69.87 -44.0 70.7 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.53 -0.731 . . . . 0.0 112.322 176.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 t -60.52 -48.96 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 119.513 1.051 . . . . 0.0 111.464 175.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -64.74 -34.08 77.48 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 120.369 1.44 . . . . 0.0 112.478 177.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -70.46 -42.21 71.74 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.631 0.65 . . . . 0.0 110.303 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.9 mm -72.48 -29.73 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 124.609 1.163 . . . . 0.0 112.138 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.7 t -59.24 -44.16 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 119.531 1.059 . . . . 0.0 110.36 162.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.62 -43.84 97.35 Favored Glycine 0 CA--C 1.535 1.322 0 O-C-N 121.621 -0.675 . . . . 0.0 114.03 172.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -63.46 -32.52 73.99 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.63 1.215 . . . . 0.0 112.08 173.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.2 t -63.21 -47.95 80.36 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.158 -0.964 . . . . 0.0 111.091 171.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -72.51 1.14 8.63 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 171.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.4 -37.23 12.09 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.05 -1.031 . . . . 0.0 112.045 164.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.6 ptpt -95.44 -15.32 23.06 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 115.613 1.708 . . . . 0.0 115.613 -178.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.8 p -90.49 -177.42 5.05 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.792 1.178 . . . . 0.0 114.115 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.16 156.58 43.52 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.107 2.163 . . . . 0.0 109.786 -175.427 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -41.5 -43.3 2.61 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.799 1.64 . . . . 0.0 112.903 163.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.41 -20.56 65.65 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.583 1.153 . . . . 0.0 113.056 178.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -120.35 27.8 8.39 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.289 2.236 . . . . 0.0 112.46 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.5 t60 -52.54 -44.74 65.98 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.675 -0.64 . . . . 0.0 111.426 176.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.2 m -46.68 -51.84 15.11 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.207 1.403 . . . . 0.0 113.595 171.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.3 mm -67.71 -34.58 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 123.69 0.796 . . . . 0.0 110.301 -175.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.3 m -67.09 -44.2 80.63 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.266 1.026 . . . . 0.0 111.088 174.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 75.6 t -65.35 -40.05 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.442 1.097 . . . . 0.0 111.903 175.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.28 83.29 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.412 0.551 . . . . 0.0 111.439 175.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.0 tp -66.52 -34.41 77.85 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.802 0.728 . . . . 0.0 112.488 176.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.0 t -58.68 -48.18 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 121.077 -1.014 . . . . 0.0 111.642 170.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -68.57 -30.71 69.53 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 119.01 -0.519 . . . . 0.0 112.168 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -69.6 -47.97 61.7 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.768 0.713 . . . . 0.0 111.801 173.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.3 mt -57.93 -36.35 72.38 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 120.567 -1.333 . . . . 0.0 111.43 174.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -72.78 -27.28 61.91 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 171.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -71.59 -49.05 44.1 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.316 1.446 . . . . 0.0 109.062 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 75.6 mt -59.0 -44.65 91.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 124.64 1.176 . . . . 0.0 110.186 173.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -60.21 -53.95 51.57 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 118.259 0.481 . . . . 0.0 111.779 176.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -58.43 -44.9 89.3 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.018 0.927 . . . . 0.0 112.112 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -58.48 -52.43 65.67 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.236 1.014 . . . . 0.0 111.139 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -77.91 -28.33 49.75 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 118.097 -0.954 . . . . 0.0 113.497 -176.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.5 mt -59.58 -43.53 93.63 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 120.649 1.568 . . . . 0.0 111.066 166.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.1 -28.16 66.24 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 118.408 0.549 . . . . 0.0 112.433 178.463 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -70.18 -48.96 54.98 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 118.934 0.788 . . . . 0.0 110.291 170.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.8 mt -62.66 -42.07 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 125.619 1.568 . . . . 0.0 111.68 -175.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.9 -30.86 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 O-C-N 120.581 -1.325 . . . . 0.0 113.654 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -96.1 1.2 52.29 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.118 1.767 . . . . 0.0 113.134 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.483 ' HB2' HD21 ' A' ' 62' ' ' LEU . 14.3 m -71.52 105.21 3.53 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 120.607 -1.308 . . . . 0.0 112.835 -173.355 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.3 t -81.74 30.53 0.37 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.628 1.571 . . . . 0.0 112.953 -177.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.9 m -162.1 127.23 3.39 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.786 1.634 . . . . 0.0 112.256 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -73.03 -28.56 62.42 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.7 p -57.81 -59.65 4.91 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.467 1.507 . . . . 0.0 110.662 169.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -54.52 -41.26 69.47 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.751 1.22 . . . . 0.0 112.261 176.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.518 HD22 ' HA ' ' A' ' 5' ' ' ARG . 18.2 mt -56.49 -41.02 75.91 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 178.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -67.72 -39.91 84.3 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.116 0.416 . . . . 0.0 111.593 174.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.2 mm -68.75 -33.69 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 O-C-N 120.726 -1.234 . . . . 0.0 112.171 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.8 mt -58.8 -26.15 63.81 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.446 -0.784 . . . . 0.0 113.109 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 35.9 mtm -64.45 -49.64 70.64 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.159 0.89 . . . . 0.0 111.321 170.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 30.9 mtm -68.75 -41.07 79.43 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.479 0.712 . . . . 0.0 112.054 -179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -64.7 -46.02 84.11 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.341 0.656 . . . . 0.0 112.21 176.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.7 p -66.27 -36.83 83.99 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.272 -0.893 . . . . 0.0 112.247 175.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -58.77 -44.79 90.72 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.044 0.838 . . . . 0.0 111.496 171.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 75.7 m -60.36 -41.43 93.65 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 118.394 -0.812 . . . . 0.0 112.214 174.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -65.65 -40.4 92.44 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.736 1.153 . . . . 0.0 113.383 174.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.6 t -63.24 -44.83 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.281 0.633 . . . . 0.0 110.847 177.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -69.26 -40.46 77.83 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 122.955 0.502 . . . . 0.0 111.95 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -55.91 -42.49 76.14 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.143 1.377 . . . . 0.0 111.63 172.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.6 73.03 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.789 0.835 . . . . 0.0 111.73 176.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.9 t -56.94 -47.51 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.312 0.96 . . . . 0.0 110.745 174.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.0 t -68.1 -33.07 73.84 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -67.06 -34.99 78.89 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.83 1.252 . . . . 0.0 112.619 171.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -82.52 -29.16 30.61 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -89.4 16.99 6.64 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt . . . . . 0 C--O 1.248 0.975 0 CA-C-O 116.159 -1.877 . . . . 0.0 112.529 171.918 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -50.67 -44.01 57.54 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.482 1.913 . . . . 0.0 115.823 -178.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -74.18 -30.46 62.24 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.319 -0.863 . . . . 0.0 111.975 177.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.96 -46.09 58.69 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.878 1.271 . . . . 0.0 111.099 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -2.84 12.92 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.83 -39.71 11.61 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.616 1.566 . . . . 0.0 113.747 160.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -66.78 -43.78 83.08 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.961 1.304 . . . . 0.0 112.605 178.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.09 -40.95 97.33 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.424 0.69 . . . . 0.0 112.619 176.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.2 ptt85 -72.0 -32.21 66.98 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 120.88 -1.138 . . . . 0.0 113.099 175.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -60.57 -38.42 84.5 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.785 0.834 . . . . 0.0 111.983 174.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -61.89 -49.01 77.93 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.409 0.684 . . . . 0.0 111.862 176.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.8 m -78.88 -26.5 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -56.84 -52.57 64.57 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.34 1.056 . . . . 0.0 111.196 167.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -73.1 -26.17 61.15 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.727 0.694 . . . . 0.0 112.556 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -66.56 -53.02 39.13 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.744 0.702 . . . . 0.0 111.975 171.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.2 t -55.11 -50.93 59.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.561 1.145 . . . . 0.0 110.256 172.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -60.09 -38.83 84.1 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.203 1.001 . . . . 0.0 112.949 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -67.86 -45.43 74.59 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.577 0.626 . . . . 0.0 110.891 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.0 mm -71.0 -29.67 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 C-N-CA 123.668 0.787 . . . . 0.0 111.524 -177.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.7 t -62.42 -45.66 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.684 1.194 . . . . 0.0 111.03 166.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.37 -43.6 98.83 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 123.38 0.514 . . . . 0.0 113.173 175.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -72.17 -32.38 66.78 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.276 1.03 . . . . 0.0 113.374 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.7 t -55.43 -46.91 76.65 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.377 1.071 . . . . 0.0 111.192 172.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -68.67 -47.84 65.46 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.972 -0.455 . . . . 0.0 112.118 170.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.36 -30.8 71.87 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -172.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -80.19 -4.82 54.62 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.715 1.206 . . . . 0.0 113.948 175.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 t -130.09 -164.36 1.41 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.226 1.411 . . . . 0.0 113.323 -164.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.0 p -150.23 164.69 35.05 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.071 1.748 . . . . 0.0 113.358 -169.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -67.08 -17.66 64.98 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.574 1.149 . . . . 0.0 112.9 177.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.4 mppt? -63.53 -41.0 98.49 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.76 0.824 . . . . 0.0 111.414 168.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -96.01 18.11 14.07 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.035 1.334 . . . . 0.0 113.759 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -57.83 -36.37 72.17 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -165.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 m -58.57 -38.98 79.05 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.884 0.874 . . . . 0.0 112.398 175.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 40.1 mt -72.08 -42.27 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.23 1.012 . . . . 0.0 109.905 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.9 p -63.2 -43.34 98.44 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.72 -0.612 . . . . 0.0 112.007 173.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 43.5 t -61.75 -40.04 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 123.549 0.74 . . . . 0.0 111.544 175.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.1 -46.83 76.25 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.401 1.001 . . . . 0.0 112.334 176.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.4 tp -61.89 -39.41 91.86 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.613 -0.679 . . . . 0.0 111.894 174.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 53.3 t -69.07 -39.84 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 121.078 -1.013 . . . . 0.0 112.171 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -57.67 -41.6 81.84 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 119.127 -0.463 . . . . 0.0 111.314 170.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -71.01 -45.76 63.38 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.711 0.687 . . . . 0.0 112.323 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.3 mt -53.2 -39.77 63.95 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 120.739 -1.226 . . . . 0.0 112.08 173.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -77.35 -26.11 51.68 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 174.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -70.27 -44.59 68.13 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.221 1.008 . . . . 0.0 109.662 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 58.7 mt -57.85 -45.12 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 124.524 1.129 . . . . 0.0 109.885 169.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -61.73 -41.87 98.21 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 118.171 -0.919 . . . . 0.0 112.366 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -63.89 -43.57 95.61 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.909 1.231 . . . . 0.0 112.581 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -63.89 -51.71 63.31 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 123.402 0.439 . . . . 0.0 111.272 172.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -76.69 -24.34 53.18 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.947 -1.095 . . . . 0.0 113.069 -171.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.2 mt -58.53 -46.19 87.3 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 120.179 1.354 . . . . 0.0 110.611 162.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.82 -21.31 62.48 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.662 0.785 . . . . 0.0 112.918 178.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -79.19 -48.86 13.47 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.346 1.059 . . . . 0.0 111.886 169.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.9 mt -67.99 -39.95 82.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.647 0.779 . . . . 0.0 111.043 -174.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.9 p -60.68 -27.78 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 O-C-N 120.872 -1.142 . . . . 0.0 112.24 173.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -110.59 3.42 19.38 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.195 1.798 . . . . 0.0 113.651 -166.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.8 t -63.02 124.19 20.47 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.341 -1.474 . . . . 0.0 109.712 -177.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.9 t -74.54 -29.24 61.3 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.5 t -97.5 131.47 44.09 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.3 1.04 . . . . 0.0 111.944 174.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -77.39 -6.79 54.66 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.083 0.953 . . . . 0.0 113.288 171.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.4 t -87.1 -43.05 12.57 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.894 0.878 . . . . 0.0 110.013 166.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -61.3 -32.89 72.74 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 118.418 -0.801 . . . . 0.0 112.269 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.6 mt -48.24 -45.09 33.83 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.655 1.116 . . . . 0.0 112.899 170.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -73.56 -21.66 60.3 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.4 mm -77.41 -37.78 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 124.013 0.925 . . . . 0.0 112.653 170.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -53.76 -28.31 33.87 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.884 1.22 . . . . 0.0 112.321 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 69.8 mtm -58.28 -49.32 77.56 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.05 0.94 . . . . 0.0 113.062 170.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 33.7 mtm -71.99 -36.84 69.88 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.182 0.993 . . . . 0.0 111.398 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -62.47 -51.3 68.01 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.247 0.476 . . . . 0.0 112.125 175.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 t -68.15 -30.44 69.56 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 117.736 -1.126 . . . . 0.0 112.544 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 -58.89 -47.03 86.42 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.432 1.469 . . . . 0.0 111.617 167.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.4 m -60.31 -41.54 93.67 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.066 0.848 . . . . 0.0 112.222 174.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HE2' ' HA ' ' A' ' 72' ' ' LYS . 10.9 mmpt? -65.26 -40.11 93.53 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.323 0.965 . . . . 0.0 112.48 176.01 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.7 t -66.09 -45.73 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.312 1.045 . . . . 0.0 111.415 176.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -65.51 -38.2 89.0 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.991 0.916 . . . . 0.0 111.975 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -59.84 -44.96 93.81 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 124.438 1.095 . . . . 0.0 111.652 169.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.62 -46.96 87.56 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.434 1.016 . . . . 0.0 111.853 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.7 t -59.54 -47.46 90.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 O-C-N 121.597 -0.689 . . . . 0.0 110.687 174.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.0 t -62.92 -34.15 76.84 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.012 0.925 . . . . 0.0 112.661 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -70.03 -41.58 74.07 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.836 1.254 . . . . 0.0 111.906 175.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -83.63 -16.33 45.6 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 -177.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -9.69 59.05 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 172.073 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? . . . . . 0 C--O 1.247 0.961 0 C-N-CA 124.268 1.027 . . . . 0.0 111.965 166.977 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 118.838 -0.601 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -60.83 -47.94 84.06 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -156.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.6 p -76.37 -23.07 54.12 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 120.282 -1.511 . . . . 0.0 113.752 176.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -68.33 -39.68 81.85 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.68 0.792 . . . . 0.0 112.235 170.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.2 ptt85 -74.48 -32.07 62.43 Favored 'General case' 0 N--CA 1.463 0.203 0 O-C-N 121.505 -0.747 . . . . 0.0 111.732 173.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -66.71 -45.01 80.12 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 118.273 0.488 . . . . 0.0 111.46 177.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -66.3 -38.38 87.6 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 119.2 -0.429 . . . . 0.0 111.213 174.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.32 -38.33 90.74 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -72.13 -42.11 66.38 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.828 0.74 . . . . 0.0 112.482 169.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -69.94 -25.94 63.89 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 118.091 -0.957 . . . . 0.0 113.175 -174.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -55.88 -64.62 0.79 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.575 1.55 . . . . 0.0 110.43 162.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.0 m -70.27 -24.46 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 121.583 -0.698 . . . . 0.0 112.716 -172.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.02 -35.97 77.24 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 117.818 -1.087 . . . . 0.0 112.836 168.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -40.54 76.23 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 120.973 1.715 . . . . 0.0 109.33 169.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -63.51 -48.81 76.06 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.961 0.905 . . . . 0.0 111.39 -172.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.0 t -61.34 -52.16 64.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 123.842 0.857 . . . . 0.0 111.198 175.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -68.26 -28.21 67.01 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 120.391 1.45 . . . . 0.0 113.098 -177.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -72.23 -49.24 36.75 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.855 1.262 . . . . 0.0 110.278 175.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.9 mm -69.78 -28.95 38.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 123.79 0.836 . . . . 0.0 111.455 -177.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.9 t -56.8 -48.69 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-N 119.293 0.951 . . . . 0.0 110.788 163.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.08 -47.27 91.03 Favored Glycine 0 CA--C 1.533 1.218 0 CA-C-N 118.746 0.703 . . . . 0.0 113.601 175.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -61.74 -31.28 71.45 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.503 -0.998 . . . . 0.0 112.293 175.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.8 p -69.37 -43.75 72.92 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 121.545 -0.722 . . . . 0.0 112.121 175.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -67.6 -36.17 80.36 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.495 0.589 . . . . 0.0 111.956 173.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -26.12 66.06 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.485 0.921 . . . . 0.0 113.485 174.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 pttp -108.38 14.25 24.93 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 174.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.8 p -84.88 171.94 11.8 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.626 1.17 . . . . 0.0 113.325 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.3 p -142.31 160.15 40.83 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.673 1.189 . . . . 0.0 110.336 166.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -51.47 -38.31 53.16 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.324 1.05 . . . . 0.0 111.825 167.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -68.18 -32.46 72.73 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.912 2.485 . . . . 0.0 113.313 -178.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.4 mmm-85 -117.11 26.95 9.42 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.781 1.632 . . . . 0.0 112.443 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -57.77 -39.31 77.16 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.539 -0.726 . . . . 0.0 112.023 -176.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.4 m -48.95 -43.22 39.58 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.589 1.556 . . . . 0.0 113.638 173.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.7 mm -65.95 -40.58 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 124.176 0.991 . . . . 0.0 110.353 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.5 m -68.73 -46.16 69.64 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.035 0.934 . . . . 0.0 109.837 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.1 t -56.44 -48.77 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.239 1.016 . . . . 0.0 111.094 173.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.87 -46.05 89.7 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.108 0.867 . . . . 0.0 112.269 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.9 tp -58.69 -49.89 75.91 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.225 1.01 . . . . 0.0 111.842 174.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.03 -36.01 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 121.239 -0.913 . . . . 0.0 112.217 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -71.34 -27.34 63.3 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 176.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -83.85 -39.89 19.35 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.765 0.826 . . . . 0.0 112.397 173.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.2 mt -54.73 -42.91 72.14 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.648 -1.282 . . . . 0.0 112.39 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -74.66 -23.95 58.74 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.72 1.008 . . . . 0.0 113.72 177.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -63.23 -46.51 86.63 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.44 1.896 . . . . 0.0 110.92 173.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.6 mt -60.0 -41.49 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.68 0.792 . . . . 0.0 109.59 172.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -56.3 -45.25 80.32 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 118.355 -0.831 . . . . 0.0 111.65 177.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -62.02 -52.52 63.65 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.282 0.946 . . . . 0.0 112.003 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -58.62 -39.46 80.55 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.05 0.94 . . . . 0.0 112.044 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -87.19 -29.88 21.42 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 118.378 -0.82 . . . . 0.0 112.632 -178.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.8 mt -55.57 -42.1 74.24 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 120.426 1.466 . . . . 0.0 112.04 169.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -61.46 -49.09 78.22 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.875 0.87 . . . . 0.0 111.492 172.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -62.84 -32.81 74.1 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.185 -0.947 . . . . 0.0 111.959 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 76.2 mt -74.25 -32.7 32.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 C-N-CA 125.03 1.332 . . . . 0.0 111.746 178.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.9 p -78.72 -31.8 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 O-C-N 120.227 -1.546 . . . . 0.0 112.91 169.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -81.55 -3.27 52.76 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.41 ' HB2' HD21 ' A' ' 62' ' ' LEU . 6.2 m -74.12 132.87 42.67 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 124.352 1.061 . . . . 0.0 113.202 -174.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.9 p -96.51 -4.99 40.46 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.179 1.392 . . . . 0.0 114.229 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.1 m -137.12 135.31 37.3 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.632 1.173 . . . . 0.0 112.737 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 56.9 mp0 -53.08 -35.1 59.22 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.521 1.128 . . . . 0.0 112.599 165.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.0 t -56.67 -59.92 4.31 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.718 0.807 . . . . 0.0 112.193 176.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -64.83 -32.19 73.77 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.417 -0.802 . . . . 0.0 111.915 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.41 HD21 ' HB2' ' A' ' 56' ' ' SER . 39.8 mt -56.59 -43.39 80.02 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.036 0.834 . . . . 0.0 112.616 175.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -66.08 -41.95 90.03 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.366 0.53 . . . . 0.0 111.419 175.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.5 mm -69.15 -32.29 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 O-C-N 120.696 -1.253 . . . . 0.0 112.251 -177.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.2 mt -59.02 -28.66 66.61 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.103 0.865 . . . . 0.0 113.123 173.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 32.0 mtm -62.61 -54.23 42.72 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 118.856 0.753 . . . . 0.0 110.546 168.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 31.5 mtm -66.11 -34.51 78.21 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.127 0.971 . . . . 0.0 112.768 -176.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -68.28 -47.36 67.87 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.774 1.229 . . . . 0.0 112.232 172.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.8 t -61.12 -43.8 98.33 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.683 -0.636 . . . . 0.0 110.913 175.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.2 mtp85 -60.87 -44.74 96.63 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.728 1.611 . . . . 0.0 112.456 175.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.9 m -57.76 -40.69 80.35 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.902 0.881 . . . . 0.0 111.608 175.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -76.81 -26.63 54.63 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 177.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.1 t -67.96 -49.56 67.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 123.989 0.915 . . . . 0.0 110.944 168.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -63.52 -36.5 83.98 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.023 0.929 . . . . 0.0 111.975 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -63.2 -50.25 71.02 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 118.352 -0.832 . . . . 0.0 111.008 168.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.65 -47.01 80.71 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 120.075 1.307 . . . . 0.0 111.346 -177.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.7 t -53.27 -58.18 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.22 0.608 . . . . 0.0 110.171 172.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.5 m -65.72 -30.79 71.51 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.934 1.294 . . . . 0.0 113.348 -171.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -73.87 -32.07 63.45 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 128.48 2.712 . . . . 0.0 112.546 174.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -84.95 -7.06 59.31 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 169.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -71.74 -6.61 42.58 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 119.865 -1.772 . . . . 0.0 114.618 172.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.031 0 C-N-CA 125.451 1.5 . . . . 0.0 114.352 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.663 0.268 . . . . 0.0 111.49 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.63 -47.74 84.89 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.341 1.856 . . . . 0.0 110.908 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 p -66.18 -17.93 65.03 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 126.603 1.961 . . . . 0.0 114.319 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -89.58 -46.64 8.52 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 124.101 0.96 . . . . 0.0 111.462 174.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -69.51 -26.24 64.44 Favored 'General case' 0 C--N 1.332 -0.169 0 O-C-N 121.713 -0.617 . . . . 0.0 112.593 -178.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -60.58 -39.51 88.3 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.827 0.739 . . . . 0.0 112.164 171.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -66.01 -42.22 89.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 122.489 0.316 . . . . 0.0 110.858 175.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.75 92.65 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -65.7 -35.19 80.06 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 121.047 -1.033 . . . . 0.0 112.196 173.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -62.42 -46.4 88.72 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.978 0.808 . . . . 0.0 110.905 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -57.33 -46.53 83.18 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.923 0.783 . . . . 0.0 112.631 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.6 m -73.54 -30.06 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -62.0 -47.67 83.74 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.925 0.89 . . . . 0.0 111.601 169.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -61.46 -48.07 82.8 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.329 1.051 . . . . 0.0 112.473 175.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -64.6 -42.8 95.34 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.542 0.61 . . . . 0.0 111.666 -176.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.7 t -63.47 -50.82 76.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 O-C-N 121.552 -0.718 . . . . 0.0 110.942 174.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -72.8 -25.61 61.21 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.78 1.173 . . . . 0.0 114.009 -174.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -60.35 -46.77 88.74 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.552 1.141 . . . . 0.0 109.582 168.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.6 mt -80.01 -26.36 12.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 124.009 0.924 . . . . 0.0 111.763 -172.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.4 t -58.45 -49.68 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 CA-C-N 119.343 0.974 . . . . 0.0 111.188 161.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.15 -42.34 99.47 Favored Glycine 0 CA--C 1.535 1.282 0 O-C-N 121.464 -0.772 . . . . 0.0 113.413 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -74.25 -19.35 60.54 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 176.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.9 t -66.82 -51.57 54.09 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.383 1.073 . . . . 0.0 110.677 169.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -59.71 -24.54 64.06 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 171.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.49 -13.97 59.79 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -116.1 -28.94 6.44 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.4 p -77.14 -179.55 5.67 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.669 1.122 . . . . 0.0 112.412 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 t -132.47 153.43 50.89 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.281 1.432 . . . . 0.0 109.487 167.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -62.89 -17.86 62.22 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 173.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -12.73 61.34 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 168.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -129.26 31.96 4.77 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 127.11 2.164 . . . . 0.0 111.158 170.179 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -47.43 -38.75 14.04 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.175 1.39 . . . . 0.0 112.299 -172.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -39.71 -42.43 1.24 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 129.521 3.128 . . . . 0.0 114.487 173.319 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 50.2 mm -68.97 -48.19 71.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.139 0.976 . . . . 0.0 110.226 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -49.01 77.89 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.203 1.001 . . . . 0.0 111.594 175.207 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.8 p -72.06 -35.4 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 118.745 -0.645 . . . . 0.0 112.28 -175.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.48 93.18 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.579 1.081 . . . . 0.0 111.746 173.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 tp -64.59 -40.76 96.11 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.309 0.644 . . . . 0.0 111.936 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 50.5 t -63.95 -40.62 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 O-C-N 120.922 -1.111 . . . . 0.0 111.871 173.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -62.76 -32.61 73.79 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.366 1.066 . . . . 0.0 112.357 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -85.84 -39.98 16.48 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.164 0.893 . . . . 0.0 113.023 171.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -51.07 -43.19 60.97 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.403 -1.435 . . . . 0.0 112.587 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -77.62 -23.81 49.72 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 176.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -68.51 -49.42 59.76 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.812 1.245 . . . . 0.0 110.16 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.2 mt -54.85 -46.79 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 124.112 0.965 . . . . 0.0 109.506 172.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -62.78 -43.65 98.25 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 118.667 -0.683 . . . . 0.0 112.203 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.75 -44.69 82.0 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.092 0.957 . . . . 0.0 112.204 175.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -71.49 -48.54 48.47 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.544 0.738 . . . . 0.0 110.968 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.455 ' CD2' ' HB2' ' A' ' 69' ' ' SER . 6.4 m-85 -68.38 -35.76 78.16 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-O 117.421 -1.276 . . . . 0.0 112.164 -177.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.6 mt -55.4 -44.98 76.66 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.402 1.455 . . . . 0.0 112.107 170.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -61.63 -37.48 84.14 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.134 0.425 . . . . 0.0 111.208 174.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -74.94 -14.47 60.64 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.368 1.067 . . . . 0.0 113.211 175.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.5 mm -75.74 -54.56 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-N 120.388 1.449 . . . . 0.0 109.999 168.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.7 p -66.95 -25.49 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 O-C-N 121.477 -0.765 . . . . 0.0 112.071 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -110.13 25.12 12.14 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.532 1.533 . . . . 0.0 113.076 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -67.76 150.59 48.46 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.39 -0.819 . . . . 0.0 112.038 169.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.3 p -117.14 -10.35 10.86 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -168.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.5 m -145.01 151.24 38.26 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.234 1.414 . . . . 0.0 110.65 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -71.68 -33.68 69.03 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.258 -0.901 . . . . 0.0 112.402 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.9 p -67.82 -40.75 83.76 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.638 1.175 . . . . 0.0 111.919 170.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -59.33 -37.5 77.96 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.038 0.935 . . . . 0.0 111.828 177.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.9 mt -57.68 -35.77 71.03 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 173.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -66.62 -47.64 71.99 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.915 0.78 . . . . 0.0 111.163 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.6 mm -71.75 -31.17 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 120.831 -1.168 . . . . 0.0 111.875 -171.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -48.34 -34.86 11.33 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.634 1.174 . . . . 0.0 113.065 168.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 31.3 mtm -68.63 -49.63 57.65 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.321 0.648 . . . . 0.0 112.255 176.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -68.37 -37.03 80.04 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.634 0.773 . . . . 0.0 111.722 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -67.26 -42.89 83.15 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.095 -1.003 . . . . 0.0 111.793 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.455 ' HB2' ' CD2' ' A' ' 49' ' ' TYR . 2.6 t -63.46 -39.7 95.16 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.273 0.942 . . . . 0.0 112.673 170.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -58.17 -45.75 86.94 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.984 1.265 . . . . 0.0 111.336 174.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.9 t -66.75 -34.7 78.42 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 175.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -62.74 -40.36 96.99 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 120.866 -1.146 . . . . 0.0 112.035 169.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.2 t -70.89 -37.1 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 118.542 0.61 . . . . 0.0 111.167 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -59.62 -41.05 89.56 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.83 0.741 . . . . 0.0 112.238 170.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -62.84 -43.21 99.41 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.381 0.991 . . . . 0.0 111.299 172.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.29 -45.43 94.51 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.507 -0.745 . . . . 0.0 111.856 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 72.3 t -61.57 -52.46 60.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.359 -0.838 . . . . 0.0 110.694 174.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.3 p -60.93 -41.43 96.21 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 121.717 -0.614 . . . . 0.0 111.902 -175.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -77.59 -3.99 43.58 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.817 2.047 . . . . 0.0 115.047 178.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -118.91 -9.21 10.14 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 168.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.99 -23.0 66.49 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 120.866 -1.146 . . . . 0.0 113.225 172.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.147 0 C-N-CA 126.981 2.112 . . . . 0.0 111.665 170.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.95 -60.61 2.91 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 127.146 2.179 . . . . 0.0 114.914 -178.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -60.58 -31.52 70.66 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.488 1.04 . . . . 0.0 112.759 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -68.33 -49.66 58.75 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.883 1.673 . . . . 0.0 111.847 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.3 ptt85 -68.1 -22.27 64.92 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -71.74 -53.22 14.15 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.086 0.554 . . . . 0.0 111.401 170.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -62.57 -36.29 82.22 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 120.893 -1.129 . . . . 0.0 112.608 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.69 80.67 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.287 1.035 . . . . 0.0 112.717 172.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.9 ptt85 -69.32 -34.53 74.81 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.272 -0.893 . . . . 0.0 112.44 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -67.9 -38.86 83.53 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.133 -0.937 . . . . 0.0 112.034 177.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -57.08 -43.16 81.87 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.157 0.89 . . . . 0.0 112.131 176.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.6 m -74.91 -25.63 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -66.61 -44.56 81.79 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.569 1.077 . . . . 0.0 111.984 165.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -57.73 -47.89 81.14 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.691 1.132 . . . . 0.0 112.741 174.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -65.49 -42.17 92.48 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.266 0.484 . . . . 0.0 111.766 -178.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.3 t -57.04 -45.47 83.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 O-C-N 121.383 -0.823 . . . . 0.0 111.095 169.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -65.16 -37.1 86.31 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 120.506 1.503 . . . . 0.0 113.412 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -61.77 -51.66 67.42 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.198 0.599 . . . . 0.0 110.53 172.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.6 mm -69.9 -32.07 50.38 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 124.763 1.225 . . . . 0.0 111.452 -174.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.1 t -59.42 -45.05 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.886 1.275 . . . . 0.0 110.816 167.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.9 -44.19 97.79 Favored Glycine 0 CA--C 1.532 1.131 0 CA-C-N 118.739 0.7 . . . . 0.0 113.089 174.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -67.58 -30.43 70.05 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.447 -1.031 . . . . 0.0 112.436 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.9 t -65.42 -30.15 70.92 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.513 1.525 . . . . 0.0 113.038 171.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.469 ' CD1' HG21 ' A' ' 35' ' ' THR . 52.7 m-85 -75.95 -41.52 51.34 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.286 -0.884 . . . . 0.0 112.094 166.04 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.93 -35.07 79.46 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -175.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.14 -22.24 39.18 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 178.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.6 p -88.97 -159.08 0.54 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.786 1.234 . . . . 0.0 111.889 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.5 m -154.24 152.14 29.97 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.716 2.006 . . . . 0.0 107.28 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -52.57 -42.66 64.67 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 120.49 1.495 . . . . 0.0 113.101 -174.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -60.74 -20.07 60.44 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 175.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -107.58 17.36 22.77 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.426 1.89 . . . . 0.0 112.854 176.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -52.08 -36.22 50.08 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -172.386 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.7 m -56.54 -31.15 63.87 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.146 0.884 . . . . 0.0 112.961 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.9 mm -66.11 -49.22 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 119.18 0.9 . . . . 0.0 110.705 175.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.469 HG21 ' CD1' ' A' ' 24' ' ' TYR . 88.8 m -61.01 -49.04 79.02 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 123.339 0.656 . . . . 0.0 110.454 175.164 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.91 -36.03 69.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 123.879 0.872 . . . . 0.0 111.48 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.65 -47.39 66.66 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.251 0.932 . . . . 0.0 112.877 173.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.6 tp -64.2 -38.69 91.94 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.326 -0.859 . . . . 0.0 111.889 175.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.5 t -62.84 -39.55 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.239 1.416 . . . . 0.0 111.312 174.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -62.06 -42.67 99.43 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.135 0.425 . . . . 0.0 111.843 172.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -65.67 -47.3 75.96 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.403 0.547 . . . . 0.0 110.947 177.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.1 mt -54.08 -44.34 71.1 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.654 1.181 . . . . 0.0 112.281 175.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -67.8 -27.01 66.37 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 174.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -81.51 -36.67 28.94 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.948 1.249 . . . . 0.0 111.468 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 52.6 mt -61.05 -46.75 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 166.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -52.14 -50.08 62.43 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.162 0.585 . . . . 0.0 110.902 173.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.12 -52.01 67.55 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.185 1.394 . . . . 0.0 113.846 177.542 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -66.27 -36.56 83.3 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.228 0.467 . . . . 0.0 110.894 -177.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -78.58 -32.54 47.73 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 118.28 -0.867 . . . . 0.0 112.812 176.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.3 mt -53.92 -45.13 71.08 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.299 1.408 . . . . 0.0 110.924 166.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -63.82 -49.95 70.84 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.25 0.62 . . . . 0.0 111.768 173.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -67.45 -26.66 66.51 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.364 0.983 . . . . 0.0 112.824 -174.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.5 mt -82.08 -44.39 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 125.266 1.426 . . . . 0.0 110.765 176.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.2 t -70.4 -28.54 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 O-C-N 120.914 -1.116 . . . . 0.0 112.294 177.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -79.83 -7.92 58.98 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.098 -1.001 . . . . 0.0 113.514 173.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.418 ' HB3' HD21 ' A' ' 62' ' ' LEU . 2.5 t -81.9 175.28 10.53 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 120.93 -1.106 . . . . 0.0 113.27 -178.039 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -142.73 -38.89 0.35 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.79 1.636 . . . . 0.0 112.401 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.2 m -76.95 119.54 20.83 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.99 0.916 . . . . 0.0 112.189 -172.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -71.72 31.73 0.05 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.59 1.556 . . . . 0.0 113.564 174.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 t -127.32 -56.94 1.31 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.794 2.038 . . . . 0.0 108.396 171.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -64.71 -33.24 75.48 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.49 -1.381 . . . . 0.0 112.907 173.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.418 HD21 ' HB3' ' A' ' 56' ' ' SER . 19.3 mt -53.33 -34.85 59.11 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.61 0.764 . . . . 0.0 112.092 169.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -78.26 -44.68 24.84 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.242 0.617 . . . . 0.0 110.515 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.0 mm -66.82 -31.04 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 120.964 -1.085 . . . . 0.0 112.157 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.0 mt -54.68 -28.34 46.87 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 173.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 50.1 mtm -65.83 -49.12 69.33 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.15 0.886 . . . . 0.0 111.885 170.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -69.77 -32.48 71.0 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.521 1.129 . . . . 0.0 112.502 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -65.87 -45.54 81.7 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.762 0.825 . . . . 0.0 111.546 169.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.6 m -61.68 -43.31 99.1 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.139 0.427 . . . . 0.0 111.173 176.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -53.59 -52.23 60.48 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.872 1.669 . . . . 0.0 111.617 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.5 t -65.52 -38.3 89.27 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -73.82 -30.88 62.95 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.7 t -66.15 -46.66 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.856 1.263 . . . . 0.0 110.742 167.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.69 -36.78 85.39 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.51 0.724 . . . . 0.0 112.425 177.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.98 -45.37 89.37 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.005 0.922 . . . . 0.0 111.514 171.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.41 -47.93 80.44 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.551 0.614 . . . . 0.0 111.231 174.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -57.65 -55.55 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 123.624 0.77 . . . . 0.0 110.721 175.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.5 t -75.33 -14.63 60.5 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -172.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -77.87 -27.59 49.77 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.757 2.023 . . . . 0.0 113.003 166.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -95.39 -37.57 10.89 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.917 0.887 . . . . 0.0 113.166 177.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -86.01 3.64 41.38 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -175.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt . . . . . 0 C--O 1.25 1.131 0 C-N-CA 126.925 2.09 . . . . 0.0 110.764 176.768 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 60.7 tp . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.4 ' HA ' ' HG2' ' A' ' 5' ' ' ARG . 34.6 t70 -70.66 -38.3 73.78 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.738 1.215 . . . . 0.0 112.919 -170.041 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 p -58.92 -20.25 50.14 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.391 1.076 . . . . 0.0 113.437 166.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.75 -35.78 16.5 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.512 1.125 . . . . 0.0 113.023 174.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.4 ' HG2' ' HA ' ' A' ' 2' ' ' ASP . 7.8 ptp85 -69.65 -29.52 67.0 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 121.422 -0.798 . . . . 0.0 112.241 174.198 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -65.12 -44.03 90.05 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.337 0.517 . . . . 0.0 111.831 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -68.19 -37.71 81.23 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.736 -0.603 . . . . 0.0 111.849 172.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.05 -44.42 95.92 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -63.27 -40.53 97.66 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.999 0.818 . . . . 0.0 110.967 174.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -66.68 -43.96 83.08 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 117.712 -1.137 . . . . 0.0 111.613 -177.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -58.34 -44.51 88.74 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.546 1.138 . . . . 0.0 111.689 178.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.3 m -80.34 -30.59 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 121.577 -0.702 . . . . 0.0 112.858 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -63.19 -49.54 73.84 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.9 1.28 . . . . 0.0 111.81 169.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -67.47 -35.44 79.17 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 118.681 0.673 . . . . 0.0 111.366 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -68.91 -47.12 66.57 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.725 1.148 . . . . 0.0 111.554 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.4 t -61.95 -42.73 95.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 O-C-N 121.176 -0.952 . . . . 0.0 111.151 173.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -59.54 -48.12 82.88 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 119.933 1.242 . . . . 0.0 111.929 174.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -53.15 61.25 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.301 1.441 . . . . 0.0 108.928 -178.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.6 mm -61.11 -47.75 92.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 124.638 1.175 . . . . 0.0 111.712 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 39.1 t -60.39 -41.88 88.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 CA-C-N 118.763 0.71 . . . . 0.0 110.727 175.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.65 -34.89 90.93 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 123.901 0.762 . . . . 0.0 114.21 174.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -75.72 -39.18 57.76 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.003 1.402 . . . . 0.0 112.482 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.1 m -64.48 -35.73 81.9 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.125 -0.984 . . . . 0.0 111.693 172.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -71.0 -24.69 62.44 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 168.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.65 -34.97 58.25 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.431 1.014 . . . . 0.0 112.787 175.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -97.7 -18.41 18.87 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -172.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.5 t -77.9 140.79 39.32 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.645 1.111 . . . . 0.0 113.261 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.3 m -80.08 147.98 31.22 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.074 0.95 . . . . 0.0 110.482 165.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -45.7 -43.94 13.15 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.417 1.487 . . . . 0.0 114.136 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -60.5 -19.68 57.69 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 127.301 2.24 . . . . 0.0 113.801 -177.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -120.16 12.13 11.77 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.499 1.919 . . . . 0.0 113.397 -174.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -49.87 -33.02 15.78 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.053 -1.029 . . . . 0.0 113.006 175.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.0 m -46.72 -34.61 5.31 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.993 2.117 . . . . 0.0 114.4 174.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.1 mm -79.88 -37.44 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 123.922 0.889 . . . . 0.0 110.638 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.5 p -63.81 -46.73 83.83 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.465 -0.772 . . . . 0.0 111.621 174.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.2 p -64.07 -33.09 60.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 118.545 -0.74 . . . . 0.0 112.57 176.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.46 -49.67 74.51 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.758 1.163 . . . . 0.0 111.666 170.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.6 tp -61.13 -34.39 74.9 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.073 0.949 . . . . 0.0 112.348 175.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 75.7 t -70.26 -42.84 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 119.965 1.257 . . . . 0.0 111.671 174.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -59.15 -33.93 71.48 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.492 0.717 . . . . 0.0 111.757 174.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -74.68 -53.93 8.35 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.421 1.088 . . . . 0.0 112.231 172.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.0 mt -61.03 -40.69 94.57 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.13 1.372 . . . . 0.0 113.745 -173.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -65.19 -28.3 69.29 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 118.641 -0.695 . . . . 0.0 111.995 174.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -77.79 -42.2 34.75 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.666 0.787 . . . . 0.0 111.169 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.2 mt -57.43 -47.16 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 168.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -58.36 -53.98 52.13 Favored 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 122.743 0.417 . . . . 0.0 111.541 177.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -51.74 -51.17 58.17 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.265 1.826 . . . . 0.0 112.263 178.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -66.88 -44.65 80.36 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.821 0.448 . . . . 0.0 111.947 -178.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -74.92 -28.87 60.79 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 118.194 -0.908 . . . . 0.0 111.881 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 39.3 mt -62.7 -43.32 99.11 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 120.293 1.406 . . . . 0.0 111.827 168.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -58.01 -38.31 75.92 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 118.603 0.638 . . . . 0.0 110.734 172.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -76.4 -11.75 59.94 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.096 1.359 . . . . 0.0 113.384 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 58.0 mt -93.81 -45.18 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.657 1.583 . . . . 0.0 110.924 175.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -66.42 -34.9 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 121.308 -0.87 . . . . 0.0 111.616 175.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -100.45 14.48 31.05 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 176.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.4 132.74 46.84 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.031 -1.043 . . . . 0.0 111.493 168.635 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.8 p -92.78 -5.13 51.81 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.14 1.376 . . . . 0.0 114.149 173.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 m -136.99 119.48 15.9 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.791 1.178 . . . . 0.0 113.36 -170.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -57.92 -35.74 71.49 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 121.04 -1.037 . . . . 0.0 112.564 169.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.3 p -65.43 -17.42 64.53 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.545 1.938 . . . . 0.0 115.036 176.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -102.62 -36.7 8.25 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.034 1.333 . . . . 0.0 111.48 172.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.1 mt -53.44 -42.08 66.76 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.812 1.245 . . . . 0.0 112.597 173.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -62.3 -21.97 65.66 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 177.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.6 mm -95.0 -34.08 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 124.914 1.286 . . . . 0.0 112.697 176.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.2 mt -55.09 -30.24 59.29 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.308 0.958 . . . . 0.0 112.383 175.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 38.0 mtm -58.51 -51.68 68.83 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.948 0.899 . . . . 0.0 113.182 168.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 14.4 mmt -70.01 -42.8 72.55 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.756 1.222 . . . . 0.0 110.882 -175.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -56.74 -48.31 78.09 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.372 1.069 . . . . 0.0 111.208 172.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.1 m -62.23 -43.62 98.41 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.823 -0.548 . . . . 0.0 111.338 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -65.44 -39.15 91.72 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.7 1.2 . . . . 0.0 113.358 -178.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.0 t -60.79 -52.5 64.8 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.49 1.116 . . . . 0.0 111.104 169.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -69.29 -29.9 67.87 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -174.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 26.2 t -66.04 -50.43 69.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.356 1.062 . . . . 0.0 111.223 171.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -61.49 -38.68 88.21 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.769 0.713 . . . . 0.0 112.052 176.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -61.98 -48.55 79.84 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 118.912 -0.566 . . . . 0.0 111.752 173.062 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.63 -40.6 88.16 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.107 0.867 . . . . 0.0 112.08 177.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.24 -52.4 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.246 1.018 . . . . 0.0 111.134 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.0 t -67.01 -40.4 87.28 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 117.991 0.359 . . . . 0.0 111.48 -177.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -52.15 -41.39 62.52 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.448 1.499 . . . . 0.0 112.278 170.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -83.34 -30.24 27.64 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.436 1.272 . . . . 0.0 114.436 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -95.08 0.78 54.69 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -178.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.2 mttm . . . . . 0 N--CA 1.48 1.068 0 C-N-CA 126.982 2.113 . . . . 0.0 113.512 176.899 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.1 mp . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 119.139 -0.458 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.438 ' HA ' ' HG2' ' A' ' 5' ' ' ARG . 64.1 m-20 -47.52 -47.33 27.85 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 127.411 2.285 . . . . 0.0 112.937 165.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 p -55.41 -37.44 67.63 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.996 1.318 . . . . 0.0 113.087 169.09 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -72.7 -44.63 61.5 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.356 1.462 . . . . 0.0 113.034 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.438 ' HG2' ' HA ' ' A' ' 2' ' ' ASP . 21.8 ptt180 -73.61 -28.44 61.81 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 118.743 -0.646 . . . . 0.0 111.8 178.108 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -66.61 -46.19 76.69 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 118.981 0.81 . . . . 0.0 110.779 167.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -55.24 -45.94 76.02 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.59 0.632 . . . . 0.0 111.47 174.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.27 -44.02 97.49 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.626 0.77 . . . . 0.0 112.834 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -69.12 -37.47 78.35 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.874 -1.141 . . . . 0.0 113.128 173.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -63.62 -37.65 88.15 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.437 1.017 . . . . 0.0 111.224 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -61.9 -48.39 80.69 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.062 0.945 . . . . 0.0 112.366 173.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.6 m -75.84 -28.77 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 O-C-N 120.694 -1.254 . . . . 0.0 113.098 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.0 -54.51 46.12 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.751 1.22 . . . . 0.0 110.343 168.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -65.31 -36.28 83.58 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -68.72 -45.68 70.91 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.583 0.629 . . . . 0.0 111.256 -179.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.45 -48.4 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 121.285 -0.884 . . . . 0.0 111.107 176.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.41 -28.7 68.13 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.781 1.173 . . . . 0.0 112.99 178.627 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -63.52 -50.07 71.03 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 118.965 0.802 . . . . 0.0 109.915 169.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.2 mm -69.59 -28.02 36.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 123.299 0.64 . . . . 0.0 111.889 -175.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.3 t -57.83 -50.89 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 CA-C-N 119.528 1.058 . . . . 0.0 110.809 164.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.23 -44.35 97.18 Favored Glycine 0 CA--C 1.535 1.328 0 O-C-N 121.77 -0.581 . . . . 0.0 113.367 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -67.97 -22.37 65.03 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.347 -1.09 . . . . 0.0 113.398 176.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.3 t -74.3 -49.48 22.86 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.577 0.751 . . . . 0.0 110.946 168.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -60.14 -27.79 67.37 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 174.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.71 -33.42 75.83 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 172.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -105.6 -8.93 17.67 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.9 p -87.06 -171.22 3.41 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.475 1.11 . . . . 0.0 111.066 164.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 t -157.58 162.6 38.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.943 1.697 . . . . 0.0 109.435 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -45.98 -38.2 7.44 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.919 0.887 . . . . 0.0 112.733 168.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -66.43 -15.72 63.54 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.935 1.294 . . . . 0.0 114.126 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 71.5 mtt-85 -135.37 26.82 3.46 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 127.111 2.165 . . . . 0.0 111.477 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -52.91 -36.97 60.22 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.036 0.934 . . . . 0.0 112.126 -175.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.22 -34.93 66.76 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 128.438 2.695 . . . . 0.0 112.782 178.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.1 mm -65.08 -47.54 87.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.155 0.982 . . . . 0.0 110.298 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -42.26 98.5 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.606 0.762 . . . . 0.0 111.762 175.311 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 70.0 t -61.5 -47.26 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-N 119.047 0.84 . . . . 0.0 111.377 175.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.31 -35.64 80.9 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.9 tp -73.03 -35.09 66.69 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.486 -0.759 . . . . 0.0 112.407 174.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 37.7 t -59.0 -38.76 75.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 CA-C-N 119.847 1.203 . . . . 0.0 111.365 173.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -59.08 -41.61 88.45 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 175.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -75.49 -45.92 35.5 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.322 1.049 . . . . 0.0 111.08 175.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.5 mt -50.21 -44.3 53.07 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.712 -1.243 . . . . 0.0 112.326 177.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -81.17 -22.34 39.04 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -61.33 -46.64 89.42 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.618 1.167 . . . . 0.0 110.026 170.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.5 mt -64.74 -43.57 96.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 123.889 0.875 . . . . 0.0 110.113 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -61.38 -46.21 91.13 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.445 -0.784 . . . . 0.0 112.091 175.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -60.15 -45.57 92.61 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.207 1.803 . . . . 0.0 112.393 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -62.47 -52.51 63.22 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.628 1.171 . . . . 0.0 111.838 174.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -74.48 -28.24 60.93 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 118.089 -0.958 . . . . 0.0 112.299 -173.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.6 mt -56.63 -36.51 69.57 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 120.257 1.39 . . . . 0.0 112.41 167.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.95 -36.66 82.72 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.969 0.804 . . . . 0.0 111.146 175.223 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -67.4 -35.37 79.15 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.132 0.973 . . . . 0.0 111.851 173.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.8 mm -60.3 -52.0 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 119.116 0.871 . . . . 0.0 111.359 172.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -80.97 -21.31 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -171.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -76.3 -22.95 54.38 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 120.879 -1.138 . . . . 0.0 112.832 169.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 t -79.21 145.86 33.38 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 122.294 1.045 . . . . 0.0 113.308 -176.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -131.23 39.63 3.52 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.638 1.575 . . . . 0.0 109.779 162.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.0 m -136.24 105.67 6.08 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 119.956 -1.715 . . . . 0.0 111.666 -175.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.47 -36.43 78.26 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.178 1.391 . . . . 0.0 114.742 -170.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.2 p -64.01 -55.1 24.78 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 119.018 0.826 . . . . 0.0 111.544 174.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.8 mp0 -60.41 -38.37 83.81 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.692 0.678 . . . . 0.0 112.066 178.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.7 mt -56.15 -41.19 75.03 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.645 0.778 . . . . 0.0 112.694 172.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -70.83 -39.04 73.24 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.359 0.527 . . . . 0.0 112.127 176.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.7 mm -69.46 -32.98 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 119.922 1.237 . . . . 0.0 112.008 177.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.5 mt -56.19 -28.04 56.78 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.029 0.832 . . . . 0.0 113.059 175.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 42.6 mtm -60.93 -52.45 64.98 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.373 0.533 . . . . 0.0 110.738 170.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -68.15 -38.31 81.98 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.785 1.234 . . . . 0.0 112.678 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.36 -43.21 99.26 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.612 0.765 . . . . 0.0 111.671 173.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.6 p -65.43 -39.96 92.74 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.68 -0.637 . . . . 0.0 111.675 175.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -59.63 -42.42 92.69 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.462 1.505 . . . . 0.0 112.095 177.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.2 m -55.62 -49.58 72.46 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.568 0.747 . . . . 0.0 111.979 172.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -64.49 -36.92 85.75 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.462 0.574 . . . . 0.0 112.291 176.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.0 t -69.66 -47.16 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.573 0.749 . . . . 0.0 112.207 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -73.43 -30.85 63.49 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.695 -0.628 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.16 -46.49 88.25 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 120.582 -1.324 . . . . 0.0 111.175 164.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.66 -37.36 81.27 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 118.846 0.748 . . . . 0.0 112.143 178.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.1 t -57.18 -60.22 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 119.732 1.151 . . . . 0.0 110.488 171.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.0 t -66.27 -30.86 71.38 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -174.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -62.27 -29.73 70.62 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.588 -1.32 . . . . 0.0 112.45 171.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -100.65 -12.25 19.34 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.776 1.23 . . . . 0.0 114.16 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -70.36 -17.48 63.05 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 120.22 1.373 . . . . 0.0 113.867 171.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.6 mtmp? . . . . . 0 C--O 1.253 1.26 0 CA-C-O 116.835 -1.555 . . . . 0.0 114.741 -164.723 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 N--CA 1.477 0.895 0 CA-C-O 120.891 0.377 . . . . 0.0 111.98 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.415 ' CG ' ' H ' ' A' ' 3' ' ' SER . 9.2 p-10 -98.35 -62.51 1.23 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 127.117 2.167 . . . . 0.0 110.142 175.235 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.415 ' H ' ' CG ' ' A' ' 2' ' ' ASP . 20.8 m -58.74 -32.98 69.73 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 124.758 1.223 . . . . 0.0 110.688 169.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -61.09 -38.74 87.35 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.963 1.305 . . . . 0.0 113.499 175.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -87.45 -26.73 23.1 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 121.904 -0.497 . . . . 0.0 112.034 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -68.65 -43.4 76.31 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 122.852 0.461 . . . . 0.0 110.735 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -39.78 94.38 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-O 119.028 -0.51 . . . . 0.0 111.832 172.602 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.88 -44.04 94.25 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 119.174 -0.441 . . . . 0.0 111.502 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.6 ptt85 -66.8 -44.2 81.89 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.662 0.664 . . . . 0.0 110.927 173.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -67.74 -36.16 80.06 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.317 0.962 . . . . 0.0 112.142 -172.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -57.42 -42.59 82.64 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.667 1.187 . . . . 0.0 111.919 172.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.0 m -83.23 -35.15 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 121.48 -0.762 . . . . 0.0 112.978 -178.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -59.68 -49.65 76.93 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.583 1.083 . . . . 0.0 112.248 168.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -69.05 -25.12 64.31 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -178.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.44 ' CD2' ' HG2' ' A' ' 70' ' ' ARG . 16.8 t80 -79.47 -47.02 16.35 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 172.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.422 HG13 ' HB3' ' A' ' 42' ' ' LEU . 3.6 t -59.34 -44.27 92.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-N 119.897 1.226 . . . . 0.0 111.193 176.139 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -64.81 -28.81 69.82 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 120.326 1.421 . . . . 0.0 113.169 176.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -74.94 -49.54 19.78 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.839 1.256 . . . . 0.0 109.294 -179.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.8 mm -63.37 -37.95 80.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 124.018 0.927 . . . . 0.0 111.431 175.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.0 t -63.33 -48.83 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 121.161 -0.962 . . . . 0.0 111.692 170.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.62 -38.05 95.77 Favored Glycine 0 CA--C 1.534 1.239 0 CA-C-N 119.72 1.146 . . . . 0.0 113.279 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -69.22 -28.88 66.75 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.391 1.476 . . . . 0.0 112.443 174.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 p -60.53 -34.06 73.57 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 120.78 -1.2 . . . . 0.0 112.267 175.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -69.52 -26.93 64.76 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 172.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.72 -40.11 61.49 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.839 0.856 . . . . 0.0 112.339 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.14 -6.14 59.37 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 176.602 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.9 m -107.63 160.35 15.76 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -172.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.8 m -97.63 147.73 24.02 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.691 1.996 . . . . 0.0 109.494 165.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -54.43 -41.29 69.21 Favored 'General case' 0 N--CA 1.484 1.266 0 O-C-N 120.669 -1.27 . . . . 0.0 112.343 172.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -68.0 4.11 1.32 Allowed 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.012 1.725 . . . . 0.0 114.62 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -123.76 20.19 9.34 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.331 2.252 . . . . 0.0 112.829 172.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -58.95 -15.95 15.44 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 m -55.37 -31.58 61.89 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.605 -1.309 . . . . 0.0 112.113 168.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.0 mt -74.4 -52.3 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.378 1.071 . . . . 0.0 110.377 175.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.3 p -64.51 -47.03 80.42 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.823 -0.548 . . . . 0.0 111.834 -177.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.1 t -62.14 -35.31 68.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.079 0.952 . . . . 0.0 111.902 178.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.45 -49.57 53.78 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 119.539 1.063 . . . . 0.0 112.126 173.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 67.4 tp -62.37 -36.42 82.24 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.528 0.731 . . . . 0.0 112.039 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.4 t -60.81 -45.49 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.616 1.166 . . . . 0.0 111.659 173.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -66.6 -36.21 82.05 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 177.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -69.34 -48.18 62.17 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 118.743 0.701 . . . . 0.0 111.633 174.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.422 ' HB3' HG13 ' A' ' 16' ' ' VAL . 97.9 mt -61.98 -33.63 74.66 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 120.852 -1.155 . . . . 0.0 112.509 177.005 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -63.45 -39.51 94.67 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 118.326 -0.845 . . . . 0.0 112.959 169.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -70.62 -44.24 67.64 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.437 1.017 . . . . 0.0 110.278 -176.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.59 -46.72 95.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 123.447 0.699 . . . . 0.0 110.421 175.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -57.26 -44.86 84.28 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.748 0.819 . . . . 0.0 111.775 174.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -71.35 -44.76 64.42 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.745 1.618 . . . . 0.0 112.725 -174.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -60.19 -49.82 76.12 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.485 -0.759 . . . . 0.0 111.071 171.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -71.79 -31.76 66.92 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 118.414 -0.803 . . . . 0.0 112.229 -175.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.4 mt -52.87 -45.69 67.58 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.825 1.193 . . . . 0.0 111.548 166.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -66.01 -41.11 91.45 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.766 0.712 . . . . 0.0 111.638 178.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -67.44 -20.1 65.45 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.022 0.929 . . . . 0.0 113.366 177.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.5 mt -93.34 -47.92 13.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 126.607 1.963 . . . . 0.0 111.064 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 p -64.19 -38.26 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 O-C-N 121.193 -0.942 . . . . 0.0 111.344 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.49 -4.04 58.11 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 177.487 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.62 133.55 53.79 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.268 1.027 . . . . 0.0 112.889 -163.226 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.2 t -104.47 1.32 29.84 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.235 1.414 . . . . 0.0 113.096 -167.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.7 m -138.7 115.23 10.54 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.735 1.614 . . . . 0.0 110.338 -169.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -67.24 -35.6 79.89 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -169.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.9 p -73.99 -35.12 64.41 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.436 -0.79 . . . . 0.0 112.815 173.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.74 -27.99 68.06 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.16 -0.963 . . . . 0.0 112.963 -175.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.8 mt -51.87 -38.76 57.31 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.139 0.976 . . . . 0.0 112.704 170.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -68.63 -43.64 75.91 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 117.792 0.269 . . . . 0.0 110.897 175.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.9 mm -67.35 -34.01 66.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 O-C-N 121.137 -0.977 . . . . 0.0 111.554 -176.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.1 mt -58.35 -29.15 65.73 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.746 -0.645 . . . . 0.0 112.672 172.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.3 mtm -65.7 -43.4 89.28 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.462 1.028 . . . . 0.0 111.29 171.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -75.01 -40.76 60.45 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.377 -0.827 . . . . 0.0 112.293 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -58.29 -53.46 58.09 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.786 0.721 . . . . 0.0 111.404 172.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.9 p -62.64 -36.8 83.98 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 122.361 -0.212 . . . . 0.0 111.506 -179.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.44 ' HG2' ' CD2' ' A' ' 15' ' ' TYR . 30.9 mtp-105 -66.39 -45.23 80.73 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.433 1.093 . . . . 0.0 112.874 176.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 m -57.75 -37.66 74.01 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 118.787 -0.625 . . . . 0.0 112.386 170.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -70.65 -36.62 73.49 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.091 0.957 . . . . 0.0 113.462 174.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.4 t -63.95 -44.1 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 119.347 0.976 . . . . 0.0 110.945 171.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -67.9 -28.77 67.79 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.456 0.702 . . . . 0.0 112.692 176.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -71.48 -40.21 70.39 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.144 1.378 . . . . 0.0 112.482 169.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.31 -42.91 96.55 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.503 -0.748 . . . . 0.0 110.644 171.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.9 t -60.07 -47.55 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.711 169.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.8 t -57.35 -27.25 62.09 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.67 1.188 . . . . 0.0 113.852 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -79.96 -57.29 3.71 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.372 1.469 . . . . 0.0 112.323 171.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -77.81 -11.78 59.92 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -171.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -73.62 -15.73 61.25 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 120.877 -1.139 . . . . 0.0 113.801 172.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.2 mttt . . . . . 0 C--O 1.246 0.879 0 C-N-CA 124.563 1.145 . . . . 0.0 114.019 -167.199 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.484 1.231 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -84.29 -56.27 3.73 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 120.777 1.626 . . . . 0.0 112.846 -164.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 p -67.02 -15.82 63.97 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.181 -1.574 . . . . 0.0 112.691 166.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -76.07 -41.1 51.59 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 169.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 ptp85 -64.06 -28.2 69.62 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.525 -0.734 . . . . 0.0 111.896 166.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -63.66 -38.54 91.49 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.784 0.834 . . . . 0.0 112.152 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -67.72 -43.65 79.51 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.911 -0.493 . . . . 0.0 111.429 171.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.16 -38.14 89.61 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -178.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -67.21 -37.59 83.89 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.322 -0.862 . . . . 0.0 111.977 171.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -65.28 -39.02 92.03 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.993 0.917 . . . . 0.0 112.27 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -57.19 -47.0 82.35 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.721 1.209 . . . . 0.0 112.278 174.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.5 m -80.93 -32.32 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 O-C-N 121.141 -0.974 . . . . 0.0 113.069 -178.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.45 -51.03 69.94 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.741 1.216 . . . . 0.0 111.161 168.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -67.76 -35.73 79.23 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.24 0.473 . . . . 0.0 112.121 -177.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -66.18 -40.69 90.65 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.645 -0.659 . . . . 0.0 111.849 177.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.0 t -62.15 -51.33 73.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 O-C-N 121.183 -0.948 . . . . 0.0 111.885 174.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -64.57 -29.69 70.71 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 120.294 1.406 . . . . 0.0 113.003 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -70.81 -49.14 49.58 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.07 0.948 . . . . 0.0 110.043 178.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.8 mm -66.86 -36.92 78.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 123.902 0.881 . . . . 0.0 111.081 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.78 -49.97 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 118.915 0.779 . . . . 0.0 111.274 168.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.61 -37.91 95.47 Favored Glycine 0 CA--C 1.532 1.142 0 CA-C-N 118.758 0.708 . . . . 0.0 113.832 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -71.73 -26.9 62.67 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.564 1.146 . . . . 0.0 112.888 173.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.5 p -64.14 -35.02 79.41 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.495 1.043 . . . . 0.0 112.806 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -72.28 -33.82 67.73 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.642 -0.661 . . . . 0.0 112.466 169.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.14 -45.43 85.05 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.751 0.705 . . . . 0.0 111.85 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . 0.25 8.8 ptmm? -87.33 17.5 4.38 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 86.5 p -138.09 -162.38 1.3 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.282 1.833 . . . . 0.0 110.778 174.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.3 m -144.47 146.09 32.24 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.314 1.846 . . . . 0.0 108.781 175.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -37.14 -43.87 0.52 Allowed 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 116.204 1.928 . . . . 0.0 116.204 -174.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -30.66 62.37 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.666 1.121 . . . . 0.0 113.044 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -91.63 14.63 14.55 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.39 1.876 . . . . 0.0 114.512 175.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -56.6 -20.4 20.81 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 p -54.5 -38.96 67.09 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.978 1.263 . . . . 0.0 112.123 169.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.8 mt -75.71 -38.69 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 124.189 0.996 . . . . 0.0 110.625 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.2 p -68.7 -44.88 73.02 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.335 -0.853 . . . . 0.0 111.68 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.37 -38.64 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 125.57 1.548 . . . . 0.0 112.096 173.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.49 -44.2 79.09 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.085 -1.009 . . . . 0.0 112.445 173.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.8 tp -64.01 -41.18 97.55 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.751 0.82 . . . . 0.0 112.067 175.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.0 t -54.49 -41.49 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 126.03 1.732 . . . . 0.0 111.452 173.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -64.71 -37.86 89.02 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -71.55 -43.73 65.87 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.196 0.907 . . . . 0.0 111.582 173.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.14 -33.13 74.79 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 120.758 -1.214 . . . . 0.0 112.084 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -65.55 -39.34 91.59 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.599 0.76 . . . . 0.0 112.919 166.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -64.52 -43.5 93.86 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.408 0.549 . . . . 0.0 109.776 -178.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.3 mt -68.79 -46.54 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.682 175.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -55.43 -50.09 70.71 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 120.401 1.455 . . . . 0.0 111.695 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -69.97 -47.71 61.18 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 123.689 0.796 . . . . 0.0 111.707 -176.139 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.57 -39.52 80.52 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.795 176.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -81.8 -32.32 31.35 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 118.017 -0.992 . . . . 0.0 112.597 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.3 mt -54.23 -47.59 72.03 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 120.401 1.455 . . . . 0.0 110.866 168.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -58.19 -48.57 79.91 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.118 0.567 . . . . 0.0 111.655 172.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -64.86 -28.44 69.55 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.922 -1.111 . . . . 0.0 113.14 -177.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.9 mt -84.23 -45.52 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 126.635 1.974 . . . . 0.0 110.99 -178.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 p -66.16 -33.58 64.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 119.02 0.827 . . . . 0.0 112.064 177.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -82.88 -12.66 57.21 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.5 t -69.81 138.2 52.46 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.328 1.451 . . . . 0.0 113.027 -170.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.7 p -108.57 -32.33 7.42 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.9 m -87.2 114.34 23.72 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.878 1.217 . . . . 0.0 111.707 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -64.96 -36.79 85.53 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -178.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 m -72.27 0.86 8.81 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.13 -0.981 . . . . 0.0 113.628 172.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -104.61 -32.58 8.86 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.515 1.126 . . . . 0.0 112.744 164.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.6 mt -50.3 -42.36 52.45 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.582 1.083 . . . . 0.0 112.116 172.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -65.91 -28.62 69.07 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 176.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.7 mm -82.09 -31.87 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 O-C-N 121.037 -1.039 . . . . 0.0 112.467 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.88 -29.9 30.9 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.085 0.857 . . . . 0.0 111.93 171.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 41.7 mtm -61.34 -54.13 47.75 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.876 0.87 . . . . 0.0 112.52 172.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 37.9 mtm -71.78 -32.06 67.27 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.132 0.973 . . . . 0.0 112.523 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -67.07 -42.78 84.13 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.429 -0.794 . . . . 0.0 112.052 172.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.1 t -62.37 -43.71 98.18 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 118.911 -0.566 . . . . 0.0 110.922 171.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -55.39 -50.29 70.11 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-O 117.82 -1.086 . . . . 0.0 111.265 172.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 t -54.6 -41.27 69.72 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.413 1.085 . . . . 0.0 112.405 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -77.95 -31.07 50.71 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.9 t -71.96 -39.97 67.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 119.959 1.254 . . . . 0.0 110.995 172.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -67.71 -35.57 79.03 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.291 1.836 . . . . 0.0 111.15 176.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -62.3 -47.15 85.58 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 121.119 -0.988 . . . . 0.0 111.922 162.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.99 -40.78 85.9 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.833 1.197 . . . . 0.0 111.767 -178.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.4 t -56.94 -60.19 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-N 118.588 0.631 . . . . 0.0 110.22 167.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.4 m -55.39 -32.79 62.93 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.489 1.115 . . . . 0.0 113.353 -174.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -75.74 -42.99 49.08 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 129.544 3.138 . . . . 0.0 113.121 175.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -86.33 -13.18 47.32 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -178.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -72.57 -8.12 53.58 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.643 1.177 . . . . 0.0 113.992 170.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm . . . . . 0 C--O 1.251 1.15 0 C-N-CA 127.341 2.256 . . . . 0.0 113.769 -173.316 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -86.25 -25.04 25.76 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.323 1.849 . . . . 0.0 114.015 -174.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -86.09 -39.41 16.78 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.397 0.679 . . . . 0.0 110.439 166.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.56 -42.82 83.79 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.368 1.067 . . . . 0.0 113.224 176.259 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.7 ptt85 -68.1 -28.7 67.56 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 174.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.2 -45.27 49.43 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.144 0.429 . . . . 0.0 110.888 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -51.89 -47.4 64.57 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.916 0.886 . . . . 0.0 111.196 169.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.61 -43.35 89.91 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.627 1.171 . . . . 0.0 113.654 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -68.52 -37.28 79.9 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.523 1.056 . . . . 0.0 112.186 175.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -66.93 -37.43 84.3 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 118.096 -0.954 . . . . 0.0 112.311 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -52.58 -47.3 66.94 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 118.978 0.808 . . . . 0.0 112.125 170.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 m -80.1 -22.21 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -64.49 -44.5 90.79 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.827 1.194 . . . . 0.0 111.156 166.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -61.05 -43.82 98.31 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.567 0.747 . . . . 0.0 112.007 171.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -61.18 -47.49 85.93 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.443 0.565 . . . . 0.0 111.643 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.17 -50.34 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 O-C-N 121.021 -1.049 . . . . 0.0 111.762 176.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -66.59 -35.98 81.5 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 120.561 1.528 . . . . 0.0 112.4 -178.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.7 tttp -63.08 -45.64 91.15 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.498 1.119 . . . . 0.0 110.874 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.5 mm -74.43 -28.14 22.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 124.464 1.105 . . . . 0.0 112.162 -177.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.4 t -61.38 -38.79 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 O-C-N 120.942 -1.099 . . . . 0.0 110.488 163.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.62 -54.71 35.1 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.429 1.014 . . . . 0.0 113.377 167.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -57.08 -36.63 70.81 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 118.253 1.026 . . . . 0.0 112.728 176.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.7 m -65.08 -43.42 92.22 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.827 0.851 . . . . 0.0 111.553 178.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -78.1 -13.03 60.02 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 173.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.27 -36.76 46.39 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.151 0.887 . . . . 0.0 112.625 168.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -103.83 -0.88 28.64 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 -173.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.9 m -92.86 172.09 8.56 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.698 1.199 . . . . 0.0 113.736 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.0 m -138.06 148.48 45.1 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.643 1.577 . . . . 0.0 109.479 -176.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -27.53 18.5 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 116.166 1.914 . . . . 0.0 116.166 -168.584 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -65.25 -37.13 86.28 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.424 1.09 . . . . 0.0 112.42 174.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -74.97 36.73 0.11 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.954 2.102 . . . . 0.0 112.87 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -63.54 -42.55 98.39 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.816 -1.177 . . . . 0.0 111.994 -178.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.0 m -63.89 -37.8 88.73 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.196 0.598 . . . . 0.0 112.01 173.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.3 mm -69.85 -41.13 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 121.506 -0.746 . . . . 0.0 111.132 178.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -67.28 -42.12 84.35 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 117.742 -1.123 . . . . 0.0 112.076 178.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.4 p -63.52 -50.06 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 120.135 1.334 . . . . 0.0 110.827 169.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.46 -48.56 81.17 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.253 0.933 . . . . 0.0 112.267 -174.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.7 tp -66.21 -40.5 90.4 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.645 0.778 . . . . 0.0 112.167 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.5 t -66.57 -40.29 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 119.855 1.207 . . . . 0.0 111.594 177.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -41.45 97.98 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.626 0.77 . . . . 0.0 111.368 172.4 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -65.78 -45.67 81.61 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.129 0.972 . . . . 0.0 111.042 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.8 mt -54.69 -36.36 64.59 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.433 1.093 . . . . 0.0 112.019 172.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -76.4 -28.33 56.65 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 172.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -75.67 -42.54 50.94 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.73 1.15 . . . . 0.0 110.057 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.8 mt -56.95 -42.02 78.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 124.724 1.21 . . . . 0.0 109.753 166.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -61.26 -43.36 99.01 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 118.423 -0.799 . . . . 0.0 112.128 175.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -62.14 -49.33 76.3 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.749 1.159 . . . . 0.0 111.774 175.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -55.04 -49.01 72.65 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.131 0.972 . . . . 0.0 111.2 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.569 ' CZ ' ' HE2' ' A' ' 52' ' ' LYS . 30.7 m-85 -78.76 -31.41 46.15 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 117.737 -1.125 . . . . 0.0 112.703 -177.696 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.5 mt -55.98 -44.51 78.64 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.715 1.598 . . . . 0.0 111.331 165.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -63.1 -43.19 99.18 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.411 1.085 . . . . 0.0 111.814 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.569 ' HE2' ' CZ ' ' A' ' 49' ' ' TYR . 20.0 mtpp -67.77 -34.59 77.11 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.088 -1.008 . . . . 0.0 112.387 176.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.0 mt -79.99 -36.87 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 125.809 1.644 . . . . 0.0 111.847 -177.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 p -77.01 -25.68 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 119.575 1.079 . . . . 0.0 112.988 176.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -94.08 1.72 56.12 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.264 1.026 . . . . 0.0 113.236 174.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.3 m -62.99 128.6 36.63 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 120.614 -1.304 . . . . 0.0 112.725 -174.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.8 t -89.95 -32.47 16.8 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.6 m -119.43 127.99 53.61 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.37 1.068 . . . . 0.0 112.758 -169.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -61.43 -42.9 99.48 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.644 0.777 . . . . 0.0 113.01 -175.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 m -70.81 -6.3 36.82 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -177.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -99.42 -23.79 15.01 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.845 0.858 . . . . 0.0 112.482 170.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.1 mt -58.23 -41.2 83.61 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.948 1.249 . . . . 0.0 111.613 172.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -62.51 -33.26 74.54 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 175.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.0 mm -80.54 -32.61 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 O-C-N 120.95 -1.094 . . . . 0.0 112.464 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.6 mt -55.96 -24.9 41.12 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.1 0.863 . . . . 0.0 112.788 174.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 55.1 mtm -62.0 -50.43 72.09 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.765 0.826 . . . . 0.0 112.885 168.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 47.0 mtm -76.58 -30.23 56.91 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.888 1.275 . . . . 0.0 112.667 -177.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -59.24 -51.92 67.88 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.519 1.128 . . . . 0.0 112.177 164.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.5 m -58.22 -44.04 88.02 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 120.984 0.421 . . . . 0.0 110.239 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -59.14 -41.31 88.01 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.724 1.21 . . . . 0.0 112.406 175.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.4 m -63.26 -43.09 98.95 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.126 0.971 . . . . 0.0 112.499 176.378 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -67.76 -37.06 81.61 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 119.214 0.916 . . . . 0.0 112.603 173.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.0 t -65.18 -47.6 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.445 0.698 . . . . 0.0 111.22 175.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -56.24 -45.66 79.88 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.624 1.17 . . . . 0.0 111.416 174.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.69 -47.82 81.99 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 176.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.61 78.07 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.887 0.767 . . . . 0.0 111.649 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 99.5 t -63.01 -51.5 71.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 123.295 0.638 . . . . 0.0 110.609 178.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.08 -20.05 59.68 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -171.359 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -75.44 -33.41 60.9 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.197 0.999 . . . . 0.0 113.542 165.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -89.44 -18.68 26.29 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -87.47 -2.79 58.86 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.463 1.282 . . . . 0.0 114.463 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 116.045 1.869 . . . . 0.0 116.045 -168.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.414 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . 3.0 tt . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 119.021 -0.514 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -62.48 -31.57 72.33 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.962 1.255 . . . . 0.0 111.932 168.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 p -57.98 -30.63 66.2 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.304 -0.872 . . . . 0.0 112.914 168.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -79.49 -41.62 27.04 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 125.434 1.493 . . . . 0.0 111.851 177.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.417 ' HD2' ' HA ' ' A' ' 54' ' ' VAL . 15.4 ptt180 -67.27 -29.1 68.63 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 118.94 -0.552 . . . . 0.0 112.362 178.608 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -69.54 -50.86 40.91 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 118.657 0.662 . . . . 0.0 111.415 175.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.3 ptmm? -61.27 -36.99 81.55 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.159 -0.963 . . . . 0.0 111.536 173.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.62 92.09 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.214 0.915 . . . . 0.0 113.461 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -66.58 -42.81 86.4 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 119.653 1.115 . . . . 0.0 110.86 174.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -65.83 -36.75 84.37 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -59.43 -38.76 81.49 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.257 1.823 . . . . 0.0 112.578 174.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.6 m -84.76 -30.05 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 O-C-N 121.735 -0.603 . . . . 0.0 112.538 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -58.69 -51.73 68.69 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.182 0.901 . . . . 0.0 112.159 171.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -61.34 -31.45 71.32 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 118.49 0.586 . . . . 0.0 111.858 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -75.61 -48.53 21.83 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.282 0.633 . . . . 0.0 111.299 -177.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.2 t -54.3 -49.51 63.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.105 0.962 . . . . 0.0 110.435 167.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -65.36 -33.98 77.24 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.859 0.864 . . . . 0.0 113.243 -176.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -64.83 -50.08 68.07 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.5 1.12 . . . . 0.0 109.836 172.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.0 mt -72.47 -31.85 39.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 C-N-CA 124.169 0.988 . . . . 0.0 112.513 -174.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.7 t -59.88 -49.94 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 O-C-N 121.085 -1.01 . . . . 0.0 110.946 168.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.22 -37.56 93.05 Favored Glycine 0 CA--C 1.534 1.243 0 CA-C-O 119.617 -0.546 . . . . 0.0 113.533 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -68.06 -32.07 72.16 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.032 1.416 . . . . 0.0 112.474 172.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.3 m -65.13 -38.73 91.56 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.366 -0.834 . . . . 0.0 111.68 173.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -64.78 -41.95 95.47 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.538 -0.726 . . . . 0.0 112.006 169.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.63 -34.24 77.82 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.02 15.08 21.62 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 173.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 t -76.56 162.24 27.94 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.419 1.088 . . . . 0.0 112.442 174.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.38 176.13 9.59 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.59 1.556 . . . . 0.0 109.804 172.722 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -67.1 -36.4 81.85 Favored 'General case' 0 N--CA 1.483 1.191 0 O-C-N 120.273 -1.517 . . . . 0.0 111.635 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -72.57 -46.05 56.25 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.346 1.858 . . . . 0.0 112.44 171.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -75.56 -11.01 59.94 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -173.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -47.69 -40.88 21.24 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.457 1.903 . . . . 0.0 114.764 -174.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.7 m -57.01 -40.2 76.17 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.243 1.017 . . . . 0.0 112.46 177.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.1 mt -68.96 -46.14 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 C-N-CA 123.771 0.828 . . . . 0.0 109.455 176.135 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.9 m -55.92 -47.89 76.68 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.049 0.939 . . . . 0.0 111.816 -177.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.2 t -69.47 -41.13 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 121.61 -0.681 . . . . 0.0 111.28 179.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.69 -36.3 83.41 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 118.826 0.739 . . . . 0.0 112.862 177.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.0 tp -69.56 -45.17 69.35 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.322 1.449 . . . . 0.0 111.602 174.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.4 t -62.84 -39.74 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 CA-C-N 120.341 1.428 . . . . 0.0 112.145 175.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -57.88 -39.92 78.97 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.007 0.523 . . . . 0.0 111.407 172.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -73.55 -51.38 17.16 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 118.755 0.707 . . . . 0.0 112.469 177.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.472 HD22 HG13 ' A' ' 73' ' ' VAL . 64.4 mt -51.81 -50.07 61.51 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.521 1.528 . . . . 0.0 112.139 -179.459 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -72.63 -27.12 61.95 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.482 -0.761 . . . . 0.0 112.658 179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -65.84 -40.08 91.4 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 118.332 -0.842 . . . . 0.0 111.95 171.157 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.7 mt -61.67 -39.93 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 119.88 1.218 . . . . 0.0 109.69 172.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -56.76 -50.12 73.21 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 118.915 -0.564 . . . . 0.0 111.736 174.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -61.53 -47.37 85.9 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.409 1.083 . . . . 0.0 112.268 179.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -64.34 -47.53 79.02 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.482 0.713 . . . . 0.0 111.54 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -73.05 -28.8 62.54 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 118.162 -0.923 . . . . 0.0 111.97 178.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.3 mt -55.42 -42.36 74.03 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 120.522 1.51 . . . . 0.0 111.447 165.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.98 -39.76 83.23 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.684 0.675 . . . . 0.0 111.629 175.51 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -63.33 -38.99 93.3 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.434 1.015 . . . . 0.0 111.43 176.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.9 mt -77.89 -39.44 25.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 125.529 1.531 . . . . 0.0 111.855 -174.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.417 ' HA ' ' HD2' ' A' ' 5' ' ' ARG . 9.3 p -67.5 -38.22 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 O-C-N 120.53 -1.356 . . . . 0.0 112.327 175.268 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -86.21 6.04 31.39 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.401 1.881 . . . . 0.0 113.158 -177.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.1 m -83.84 117.21 23.15 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 120.356 -1.465 . . . . 0.0 112.09 178.286 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.5 t -85.8 8.6 19.38 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.3 m -141.66 112.91 7.5 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.861 1.264 . . . . 0.0 112.431 -164.031 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.414 ' HB3' ' HA ' ' A' ' 1' ' ' LEU . 19.4 pt-20 -71.35 -26.64 62.9 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -177.2 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.9 p -71.73 -21.01 61.82 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.922 1.289 . . . . 0.0 114.17 169.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -86.28 -44.34 12.21 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.866 0.866 . . . . 0.0 110.236 171.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.7 mt -49.54 -40.43 38.16 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.925 1.69 . . . . 0.0 113.631 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -62.97 -30.32 71.49 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 177.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.1 mm -77.8 -36.52 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 O-C-N 120.931 -1.105 . . . . 0.0 111.978 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.55 -27.97 52.09 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 118.665 0.666 . . . . 0.0 111.848 174.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 28.8 mtm -60.33 -55.04 38.45 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.828 0.851 . . . . 0.0 112.086 172.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 45.5 mtm -73.03 -33.47 65.75 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.777 1.231 . . . . 0.0 112.349 -175.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -62.84 -52.67 62.22 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.509 0.595 . . . . 0.0 112.169 170.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.3 t -61.48 -44.14 97.62 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.634 -0.426 . . . . 0.0 109.876 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -57.67 -44.55 85.81 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.17 0.988 . . . . 0.0 112.485 177.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.1 m -61.87 -44.81 96.05 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.352 0.661 . . . . 0.0 112.084 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -72.95 -31.92 64.9 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.404 0.891 . . . . 0.0 113.404 -177.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.472 HG13 HD22 ' A' ' 42' ' ' LEU . 97.3 t -66.66 -40.41 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.664 1.186 . . . . 0.0 110.579 173.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -72.94 -35.93 67.08 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.826 0.85 . . . . 0.0 112.506 175.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -64.94 -39.1 92.98 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.936 -1.102 . . . . 0.0 112.274 173.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.68 -40.73 93.22 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.727 0.811 . . . . 0.0 111.793 174.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.94 -51.52 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-O 118.992 -0.528 . . . . 0.0 110.298 170.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.11 -17.67 64.43 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -175.345 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -75.52 -55.78 5.34 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.887 1.275 . . . . 0.0 111.962 165.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -72.58 -30.61 64.54 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -174.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.67 -5.3 52.67 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -175.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt . . . . . 0 C--O 1.253 1.259 0 C-N-CA 127.408 2.283 . . . . 0.0 114.571 -164.961 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 10.7 mp . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -19.82 -61.13 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 130.147 3.379 . . . . 0.0 114.951 149.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 p -46.09 -51.45 13.85 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.44 1.896 . . . . 0.0 113.103 170.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -66.33 -38.34 87.42 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.327 1.451 . . . . 0.0 112.732 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -76.58 -12.27 59.99 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 175.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -79.48 -48.31 14.13 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.936 0.894 . . . . 0.0 110.977 169.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -62.81 -40.52 97.62 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.104 0.866 . . . . 0.0 111.135 173.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.22 -44.62 96.17 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.624 0.77 . . . . 0.0 112.855 -175.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -66.81 -31.2 71.67 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.758 -0.589 . . . . 0.0 111.598 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -44.37 71.61 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.801 1.241 . . . . 0.0 111.41 171.298 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -57.78 -47.65 81.92 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.163 0.985 . . . . 0.0 111.622 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 m -77.64 -27.45 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 121.234 -0.916 . . . . 0.0 113.464 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.16 -55.71 28.14 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.129 0.877 . . . . 0.0 110.993 164.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -69.66 -35.76 75.44 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-O 118.775 -0.631 . . . . 0.0 112.009 -175.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -64.34 -42.21 96.37 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.407 1.003 . . . . 0.0 112.047 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.466 HG11 ' HE2' ' A' ' 46' ' ' LYS . 16.3 t -62.26 -48.53 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 O-C-N 121.161 -0.962 . . . . 0.0 111.541 174.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -70.61 -32.33 69.64 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 120.144 1.338 . . . . 0.0 113.066 -178.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -62.51 -44.57 96.04 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.727 1.611 . . . . 0.0 111.143 175.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.9 mm -80.49 -32.98 13.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.793 1.237 . . . . 0.0 111.317 -176.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.7 t -56.21 -48.7 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-O 118.465 -0.778 . . . . 0.0 109.908 162.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.63 -47.62 83.32 Favored Glycine 0 CA--C 1.535 1.292 0 CA-C-N 119.461 1.028 . . . . 0.0 113.332 175.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -58.09 -37.43 74.5 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.901 -0.764 . . . . 0.0 112.436 173.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.0 p -65.09 -31.87 73.29 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.857 1.208 . . . . 0.0 113.18 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -80.21 -27.31 38.85 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.97 0.908 . . . . 0.0 111.866 173.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.46 -37.61 65.73 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.431 0.692 . . . . 0.0 112.797 172.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -77.81 -31.25 51.62 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.969 0.908 . . . . 0.0 112.807 175.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.7 m -77.09 174.97 10.07 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.481 0.713 . . . . 0.0 112.077 173.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.6 p -118.09 168.38 10.6 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 155.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -45.45 -37.87 5.6 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.096 1.359 . . . . 0.0 112.941 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -56.93 -29.33 63.02 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.589 1.155 . . . . 0.0 113.276 -177.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -100.32 25.64 7.4 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.746 1.219 . . . . 0.0 114.027 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -51.37 -30.13 17.81 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 121.351 -0.843 . . . . 0.0 113.181 170.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -14.71 63.17 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.963 1.705 . . . . 0.0 113.541 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.8 mm -102.44 -43.16 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.781 1.232 . . . . 0.0 110.985 174.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.2 p -60.73 -41.28 95.03 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.756 0.707 . . . . 0.0 111.982 177.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.0 p -56.98 -35.81 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 119.221 0.919 . . . . 0.0 113.158 176.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.3 -46.97 46.52 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.487 -0.758 . . . . 0.0 111.487 176.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.4 tp -64.14 -33.19 75.21 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.204 0.602 . . . . 0.0 112.199 176.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.8 t -60.92 -48.73 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.814 1.246 . . . . 0.0 111.108 171.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -70.43 -26.0 63.46 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -76.49 -47.72 21.94 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.667 1.121 . . . . 0.0 112.501 169.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.403 ' HB3' HG13 ' A' ' 16' ' ' VAL . 76.3 mt -61.63 -36.03 79.61 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 120.409 -1.432 . . . . 0.0 111.911 -179.511 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -66.84 -33.8 76.39 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.374 -0.829 . . . . 0.0 112.572 170.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -65.4 -45.09 85.36 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 120.064 1.302 . . . . 0.0 111.042 174.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.5 mt -60.06 -36.0 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.132 0.573 . . . . 0.0 111.246 172.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.466 ' HE2' HG11 ' A' ' 16' ' ' VAL . 18.2 ttmt -57.52 -55.91 28.73 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.25 -0.907 . . . . 0.0 111.58 173.482 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -64.24 -39.07 93.2 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.612 0.642 . . . . 0.0 111.467 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -53.98 -47.16 71.7 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.466 1.107 . . . . 0.0 111.169 172.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -82.73 -34.2 27.27 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.3 mt -57.49 -43.69 84.35 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.61 1.095 . . . . 0.0 110.756 171.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -64.42 -37.45 87.55 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.159 0.983 . . . . 0.0 112.596 173.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -65.92 -36.64 83.93 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 120.793 -1.192 . . . . 0.0 112.111 173.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 57.5 mt -72.26 -34.61 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.199 1.399 . . . . 0.0 112.228 -174.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -70.03 -27.85 34.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 O-C-N 121.084 -1.01 . . . . 0.0 112.954 170.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -91.31 -23.94 19.97 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -177.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.9 t -59.55 135.26 57.61 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.8 1.24 . . . . 0.0 113.16 -169.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.4 t -82.66 -19.21 38.64 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -163.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.2 m -145.92 143.4 29.52 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.108 1.363 . . . . 0.0 111.703 -173.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.35 -43.46 43.85 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.709 1.204 . . . . 0.0 113.336 164.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 99.4 p -71.42 -7.25 46.08 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -97.79 -42.52 7.55 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.659 1.184 . . . . 0.0 110.854 166.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.6 mt -54.5 -42.73 71.13 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.449 1.5 . . . . 0.0 113.579 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -61.18 -30.45 70.42 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 175.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.1 mm -82.45 -31.96 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 O-C-N 121.067 -1.02 . . . . 0.0 111.769 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -53.41 -33.9 55.68 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.424 1.011 . . . . 0.0 111.45 169.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 21.1 mtm -61.68 -48.57 80.19 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.452 0.569 . . . . 0.0 111.466 173.17 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.1 mmt -70.81 -35.01 72.32 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.389 1.076 . . . . 0.0 112.385 -176.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -77.32 -32.22 55.11 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.225 -0.922 . . . . 0.0 112.874 177.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.5 p -58.29 -45.9 87.07 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.652 -0.655 . . . . 0.0 111.057 163.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -60.48 -43.83 96.57 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.982 1.313 . . . . 0.0 111.013 177.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.8 t -57.08 -47.52 80.82 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.35 1.86 . . . . 0.0 113.174 172.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -77.15 -24.0 51.59 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 120.584 -1.323 . . . . 0.0 113.82 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.2 t -66.84 -43.15 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 123.816 0.846 . . . . 0.0 110.681 167.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -64.93 -37.18 86.79 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.615 0.643 . . . . 0.0 112.325 174.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -59.35 -43.73 92.76 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.387 -0.821 . . . . 0.0 111.825 169.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.15 80.96 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.571 -0.706 . . . . 0.0 112.478 177.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.0 t -59.62 -52.08 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.448 -0.783 . . . . 0.0 110.285 174.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.4 t -64.45 -32.2 73.73 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.192 0.451 . . . . 0.0 112.017 -177.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -64.15 -49.12 73.39 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.156 0.982 . . . . 0.0 112.915 170.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -87.8 -21.28 25.18 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -171.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.55 -21.29 55.87 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.632 1.105 . . . . 0.0 113.234 174.427 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 50.9 mttm . . . . . 0 C--O 1.251 1.179 0 CA-C-O 116.447 -1.74 . . . . 0.0 114.329 179.222 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.07 -44.13 55.26 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.243 1.417 . . . . 0.0 112.685 -172.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.2 p -69.88 -26.2 64.06 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.702 0.401 . . . . 0.0 111.234 169.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.87 -43.43 71.85 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 174.751 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -66.31 -29.44 69.65 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 122.106 -0.371 . . . . 0.0 110.897 171.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.59 -45.81 81.8 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.127 1.371 . . . . 0.0 112.701 172.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.0 mttm -64.9 -46.68 80.69 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.71 0.804 . . . . 0.0 110.73 173.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.03 -46.37 89.46 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.999 0.919 . . . . 0.0 111.996 -176.241 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -44.17 97.08 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.936 0.789 . . . . 0.0 111.605 173.022 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.3 tptt -68.93 -38.24 79.39 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -172.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -58.52 -46.54 86.53 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.254 1.422 . . . . 0.0 111.799 174.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.4 m -78.33 -31.93 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 121.687 -0.633 . . . . 0.0 112.443 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -63.44 -43.39 97.55 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 118.55 -0.738 . . . . 0.0 111.825 169.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.12 -28.69 61.46 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.718 1.145 . . . . 0.0 112.79 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -67.05 -44.65 79.64 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.161 0.891 . . . . 0.0 111.46 173.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.2 t -62.38 -46.36 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 O-C-N 120.927 -1.108 . . . . 0.0 110.759 170.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -56.23 -45.16 80.07 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.451 1.023 . . . . 0.0 112.306 177.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -59.45 -60.05 4.47 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 124.2 1.0 . . . . 0.0 108.715 175.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.573 HG21 HG21 ' A' ' 77' ' ' VAL 0.33 12.2 mt -73.52 -24.01 19.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 118.711 0.687 . . . . 0.0 112.824 -166.607 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.7 t -61.49 -49.64 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 O-C-N 120.667 -1.271 . . . . 0.0 111.651 163.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.16 -36.2 91.51 Favored Glycine 0 CA--C 1.534 1.242 0 O-C-N 121.545 -0.722 . . . . 0.0 113.464 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.9 -37.41 78.97 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.938 1.295 . . . . 0.0 111.838 175.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.0 t -59.96 -43.91 94.77 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 118.923 -0.561 . . . . 0.0 110.802 175.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -65.38 -38.83 91.18 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.551 1.069 . . . . 0.0 112.622 172.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.26 -9.97 20.79 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 174.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -129.65 27.9 5.2 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.458 1.503 . . . . 0.0 114.58 173.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.3 133.12 32.65 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 178.326 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.1 p -97.43 169.93 9.41 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.765 1.626 . . . . 0.0 112.197 -175.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -57.51 -36.11 71.13 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 120.6 -1.313 . . . . 0.0 113.74 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -6.87 43.36 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.076 1.35 . . . . 0.0 113.353 174.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -110.15 -4.27 15.88 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.089 1.755 . . . . 0.0 114.134 175.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -45.75 -40.07 9.01 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.641 1.576 . . . . 0.0 114.459 -174.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -34.43 77.72 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.005 1.322 . . . . 0.0 113.309 178.166 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.9 mt -77.64 -38.87 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.592 1.157 . . . . 0.0 109.535 173.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.2 -48.07 83.27 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.581 0.752 . . . . 0.0 111.374 177.28 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.5 p -62.54 -44.32 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 CA-C-O 118.297 -0.859 . . . . 0.0 111.211 175.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.83 94.74 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.176 0.898 . . . . 0.0 111.704 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.7 tp -63.47 -43.91 95.97 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.629 0.65 . . . . 0.0 112.336 175.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.19 -41.12 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 O-C-N 121.154 -0.966 . . . . 0.0 111.885 178.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -38.53 91.4 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.33 1.052 . . . . 0.0 111.954 175.011 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -63.23 -48.56 77.74 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.108 0.563 . . . . 0.0 110.349 172.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.9 mt -61.22 -37.91 84.72 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.081 -1.012 . . . . 0.0 112.993 178.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -64.26 -35.98 82.58 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 118.756 -0.64 . . . . 0.0 111.57 172.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -68.23 -44.08 76.51 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.648 1.113 . . . . 0.0 109.493 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.3 mt -56.87 -45.73 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 123.999 0.92 . . . . 0.0 111.182 171.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -59.31 -52.3 66.25 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.39 0.541 . . . . 0.0 111.157 177.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -60.38 -46.35 90.28 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.494 0.717 . . . . 0.0 111.252 -178.114 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -59.97 -52.02 67.18 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.189 0.596 . . . . 0.0 112.263 178.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.413 ' CD2' ' HB3' ' A' ' 69' ' ' SER . 25.8 m-85 -73.32 -28.87 62.31 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 118.071 -0.966 . . . . 0.0 111.436 -175.563 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 64.7 mt -59.33 -39.35 82.86 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.14 1.336 . . . . 0.0 112.218 165.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -27.71 69.43 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.533 -0.729 . . . . 0.0 112.016 173.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -80.23 -29.44 38.46 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.212 1.405 . . . . 0.0 112.63 171.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.7 mm -62.53 -50.95 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 119.483 1.038 . . . . 0.0 111.154 172.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.5 p -69.69 -40.28 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.847 -0.533 . . . . 0.0 111.94 -174.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -81.88 8.56 10.01 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 176.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.0 t -73.48 130.04 39.25 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 119.678 -1.889 . . . . 0.0 111.789 171.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.2 p -95.32 -5.1 44.27 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.422 1.489 . . . . 0.0 112.887 165.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.6 t -127.44 123.07 35.18 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.896 1.678 . . . . 0.0 111.386 -165.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -28.12 57.78 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.536 -0.728 . . . . 0.0 112.464 175.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 p -65.03 -47.03 78.85 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.845 0.858 . . . . 0.0 111.172 169.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -59.48 -42.08 91.26 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.995 1.27 . . . . 0.0 112.223 173.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.2 mt -57.22 -36.52 70.98 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -177.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -71.74 -39.05 70.33 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 118.972 -0.537 . . . . 0.0 111.948 176.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.1 mm -69.71 -34.73 62.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 119.852 1.205 . . . . 0.0 111.656 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.4 mt -57.0 -26.64 60.58 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.4 -0.813 . . . . 0.0 112.824 174.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 37.5 mtm -63.65 -48.5 76.97 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.318 0.963 . . . . 0.0 111.511 171.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -70.48 -38.87 74.47 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.549 0.74 . . . . 0.0 111.717 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -68.9 -42.29 77.07 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.561 -0.712 . . . . 0.0 112.868 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.413 ' HB3' ' CD2' ' A' ' 49' ' ' TYR . 72.8 p -67.68 -40.11 84.44 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 118.667 -0.682 . . . . 0.0 112.523 172.768 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -57.55 -47.44 82.03 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.199 0.999 . . . . 0.0 111.083 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.3 t -57.58 -42.82 83.86 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 124.221 1.008 . . . . 0.0 111.523 175.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -68.35 -41.77 80.2 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.653 1.181 . . . . 0.0 113.973 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.74 -49.31 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 118.975 0.807 . . . . 0.0 109.619 173.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -75.34 -11.94 60.16 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.511 0.724 . . . . 0.0 112.65 -178.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -73.78 -53.75 9.59 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.423 1.489 . . . . 0.0 110.138 167.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.87 92.01 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.111 0.565 . . . . 0.0 110.652 177.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.573 HG21 HG21 ' A' ' 19' ' ' ILE . 96.5 t -68.28 -48.02 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-O 118.139 -0.934 . . . . 0.0 111.308 -177.195 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.6 t -65.05 -24.66 67.53 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.889 1.222 . . . . 0.0 112.867 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -79.6 -42.8 24.17 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.802 1.241 . . . . 0.0 113.271 172.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -78.91 -34.82 44.35 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.641 0.776 . . . . 0.0 112.863 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -76.55 -1.01 25.31 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -175.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp . . . . . 0 C--O 1.247 0.964 0 C-N-CA 127.405 2.282 . . . . 0.0 111.925 -169.14 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 92.6 mt . . . . . 0 N--CA 1.483 1.192 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -50.19 -43.01 52.28 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 127.566 2.346 . . . . 0.0 114.538 -175.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.71 -39.68 76.74 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.101 1.361 . . . . 0.0 111.264 177.061 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.407 ' OE2' ' HE3' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -65.28 -47.83 75.31 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.172 1.389 . . . . 0.0 110.619 -179.644 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.507 HH11 ' HG3' ' A' ' 5' ' ' ARG . 2.2 ptt85 -63.86 -26.81 68.78 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.948 -1.095 . . . . 0.0 112.88 175.697 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.89 -41.16 78.65 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.995 1.318 . . . . 0.0 111.942 175.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.407 ' HE3' ' OE2' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -76.22 -36.58 58.51 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.123 -0.986 . . . . 0.0 112.746 171.914 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.24 -45.96 89.15 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.426 1.09 . . . . 0.0 112.284 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -61.47 -42.2 98.42 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.619 0.645 . . . . 0.0 111.465 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -66.23 -39.93 89.91 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 118.908 -0.568 . . . . 0.0 111.554 -176.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 -60.45 -45.56 93.25 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 175.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.4 m -71.91 -32.58 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -62.03 -47.12 86.15 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.791 1.178 . . . . 0.0 111.824 168.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -56.87 -45.35 82.56 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.471 1.032 . . . . 0.0 112.366 172.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -60.74 -46.85 88.86 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.956 0.798 . . . . 0.0 111.486 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.6 t -57.48 -53.21 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.023 0.929 . . . . 0.0 111.309 171.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -64.18 -35.16 79.88 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.888 0.875 . . . . 0.0 112.233 -175.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -70.53 -41.61 72.32 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.593 1.557 . . . . 0.0 110.699 176.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.6 mm -69.39 -32.67 54.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 124.356 1.062 . . . . 0.0 112.535 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.9 t -58.66 -42.81 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 O-C-N 120.8 -1.188 . . . . 0.0 110.578 166.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.88 -46.91 93.15 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 123.541 0.591 . . . . 0.0 113.044 173.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -56.07 -39.78 72.57 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.381 1.072 . . . . 0.0 113.055 176.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.7 t -72.05 -33.83 68.27 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 118.205 -0.902 . . . . 0.0 112.731 177.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -68.29 -34.34 75.98 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.754 1.161 . . . . 0.0 111.39 169.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.98 -1.24 1.92 Allowed 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 173.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -131.1 9.09 4.8 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 163.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.0 p -73.66 162.77 28.83 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -170.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.6 m -138.93 135.56 34.53 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.241 1.416 . . . . 0.0 110.005 -170.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -43.32 -60.05 1.86 Allowed 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 125.263 1.425 . . . . 0.0 111.481 177.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.3 tptt -74.13 15.38 0.32 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.511 1.524 . . . . 0.0 114.732 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 82.5 mmt-85 -131.49 11.62 4.9 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.84 1.656 . . . . 0.0 113.713 172.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -47.12 -38.14 11.02 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.118 1.367 . . . . 0.0 114.031 178.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -30.76 71.4 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.711 -1.243 . . . . 0.0 112.983 179.053 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.0 mt -83.75 -36.76 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 124.042 0.937 . . . . 0.0 110.982 -177.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.1 p -63.95 -41.26 97.64 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.499 1.045 . . . . 0.0 111.098 168.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.4 t -57.76 -44.72 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-O 118.654 -0.689 . . . . 0.0 111.342 170.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.0 89.48 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.735 1.152 . . . . 0.0 113.752 177.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.9 tp -68.28 -41.43 81.02 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.448 -0.783 . . . . 0.0 111.684 173.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.9 t -64.35 -34.77 71.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 O-C-N 121.083 -1.011 . . . . 0.0 111.662 174.158 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -60.63 -32.03 71.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.027 0.931 . . . . 0.0 112.559 174.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -82.47 -46.47 13.41 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.144 0.884 . . . . 0.0 111.748 170.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.8 mt -53.26 -44.88 68.53 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 120.674 -1.266 . . . . 0.0 113.248 -176.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -71.57 -28.86 64.13 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 175.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -69.21 -43.62 73.75 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.712 0.805 . . . . 0.0 111.045 178.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.3 mt -60.22 -43.14 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 118.749 0.704 . . . . 0.0 109.458 170.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -59.04 -48.22 82.38 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 118.915 -0.564 . . . . 0.0 112.047 178.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -60.41 -53.25 59.79 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.376 1.07 . . . . 0.0 111.747 176.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -55.84 -44.3 77.84 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.758 1.223 . . . . 0.0 111.185 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.405 ' CD2' ' HB2' ' A' ' 69' ' ' SER . 12.5 m-85 -81.17 -33.09 33.31 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-O 117.576 -1.202 . . . . 0.0 113.361 -178.291 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.4 mt -54.06 -45.04 71.59 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.695 1.589 . . . . 0.0 110.517 167.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -64.75 -43.05 94.58 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 176.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -70.58 -34.35 72.1 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 118.728 0.695 . . . . 0.0 112.036 -179.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.2 mt -71.93 -39.71 67.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.912 1.285 . . . . 0.0 111.312 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 p -73.26 -23.54 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 O-C-N 121.062 -1.024 . . . . 0.0 112.879 174.032 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -86.45 -2.74 58.71 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.738 1.615 . . . . 0.0 113.635 171.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 t -71.35 -30.15 65.83 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 116.49 2.033 . . . . 0.0 116.49 -159.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.1 p 48.97 -21.61 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 120.561 3.541 . . . . 0.0 120.561 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.9 t -104.86 132.11 51.52 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 121.102 1.774 . . . . 0.0 110.679 171.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -67.11 -36.25 81.52 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.791 0.836 . . . . 0.0 111.335 172.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.0 m -76.05 -14.09 60.21 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.897 0.879 . . . . 0.0 113.038 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -89.94 -41.4 11.78 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.219 0.918 . . . . 0.0 112.127 162.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.6 mt -51.73 -42.28 62.18 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.444 1.098 . . . . 0.0 113.015 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -60.63 -25.84 66.59 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 178.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.5 mm -86.07 -34.6 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 C-N-CA 124.851 1.26 . . . . 0.0 112.882 177.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.54 -29.71 26.79 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.87 1.214 . . . . 0.0 112.305 176.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 64.0 mtm -60.5 -55.08 37.79 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 171.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 35.8 mtm -68.34 -34.11 75.5 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.333 1.053 . . . . 0.0 111.843 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -66.03 -46.35 78.17 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.194 0.998 . . . . 0.0 112.977 175.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.405 ' HB2' ' CD2' ' A' ' 49' ' ' TYR . 44.5 t -65.49 -43.7 89.37 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.089 0.859 . . . . 0.0 111.19 173.26 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 -57.54 -42.27 82.61 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.112 0.965 . . . . 0.0 112.307 178.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.5 t -59.74 -54.13 49.94 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.398 1.479 . . . . 0.0 111.997 171.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -59.78 -35.6 74.98 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.55 1.068 . . . . 0.0 112.732 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.3 t -70.03 -47.2 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.296 1.039 . . . . 0.0 111.92 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.08 -45.91 91.44 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.42 0.554 . . . . 0.0 110.856 173.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -59.07 -36.39 75.0 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.355 1.062 . . . . 0.0 112.332 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.33 -46.67 69.6 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.188 0.995 . . . . 0.0 112.418 175.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.4 t -58.25 -49.55 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 119.443 1.02 . . . . 0.0 109.859 172.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.5 t -58.89 -26.89 64.71 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 127.311 2.245 . . . . 0.0 113.899 177.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -76.42 -38.72 55.15 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.662 1.585 . . . . 0.0 112.24 174.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -87.56 -33.59 18.86 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -20.13 61.73 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.039 -1.038 . . . . 0.0 113.483 176.096 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp . . . . . 0 C--O 1.246 0.9 0 C-N-CA 127.135 2.174 . . . . 0.0 110.269 171.698 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -56.4 -52.39 64.8 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -161.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 p -67.88 -22.17 65.12 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -78.66 -53.35 7.26 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.611 1.165 . . . . 0.0 110.945 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -25.58 67.03 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.684 -0.635 . . . . 0.0 112.164 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.66 -41.75 87.71 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.488 -0.758 . . . . 0.0 112.943 172.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -63.35 -41.22 98.84 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.461 -0.774 . . . . 0.0 110.433 172.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.79 -44.69 93.83 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.958 0.503 . . . . 0.0 112.332 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -69.88 -38.2 76.3 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.075 0.852 . . . . 0.0 113.013 174.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -65.63 -38.68 90.07 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.466 1.03 . . . . 0.0 112.799 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -57.82 -43.65 85.91 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.213 1.005 . . . . 0.0 112.074 174.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.6 m -83.31 -32.13 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.561 -0.712 . . . . 0.0 112.854 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -56.34 -49.31 74.72 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.948 1.299 . . . . 0.0 111.432 168.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.46 -35.35 77.44 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.419 0.554 . . . . 0.0 111.856 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.06 -46.26 81.93 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.771 0.714 . . . . 0.0 111.462 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.8 t -58.66 -53.05 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.68 0.792 . . . . 0.0 111.174 175.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -66.96 -32.59 73.93 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 120.441 1.473 . . . . 0.0 113.492 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -69.13 -43.41 74.45 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.737 1.215 . . . . 0.0 110.546 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.2 mt -78.59 -30.66 15.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 124.077 0.951 . . . . 0.0 112.43 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 37.7 t -58.08 -45.86 88.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-N 119.424 1.011 . . . . 0.0 110.501 162.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.71 -40.83 99.68 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 121.556 -0.715 . . . . 0.0 113.796 177.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -69.55 -31.91 70.4 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.374 1.087 . . . . 0.0 112.651 174.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.8 t -60.85 -47.34 86.79 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.327 -0.858 . . . . 0.0 110.989 169.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -61.48 -34.63 75.8 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.197 -0.939 . . . . 0.0 112.773 170.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.0 -29.56 69.43 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.228 -0.92 . . . . 0.0 113.432 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -97.99 -14.33 20.63 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 173.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.5 m -71.76 163.44 27.79 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.273 1.429 . . . . 0.0 113.813 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.9 p -133.26 160.21 37.95 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.504 1.922 . . . . 0.0 110.364 171.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -54.54 -41.36 69.65 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 121.302 -0.874 . . . . 0.0 113.316 -177.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -54.4 -45.48 72.93 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.695 0.68 . . . . 0.0 111.485 176.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -89.03 10.52 21.31 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.986 1.714 . . . . 0.0 115.569 -172.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 54.5 t60 -58.08 -25.76 61.7 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -176.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.1 m -55.09 -38.19 67.79 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 120.923 -1.111 . . . . 0.0 112.308 172.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.4 mm -75.46 -40.51 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.087 1.355 . . . . 0.0 110.24 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.6 m -56.75 -46.79 81.2 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.289 0.636 . . . . 0.0 110.646 173.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.4 t -69.0 -38.83 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.669 0.787 . . . . 0.0 112.174 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.27 -44.06 97.85 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.255 0.934 . . . . 0.0 111.654 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.9 tp -68.57 -39.54 80.97 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 118.607 -0.711 . . . . 0.0 111.97 175.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.1 t -57.88 -47.59 85.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 CA-C-N 120.257 1.389 . . . . 0.0 111.372 172.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -61.13 -35.73 77.83 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.443 0.697 . . . . 0.0 112.235 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -72.8 -48.3 39.26 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.742 0.701 . . . . 0.0 112.314 173.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.3 mt -58.7 -37.96 77.24 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.636 1.174 . . . . 0.0 112.449 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -65.77 -32.91 74.71 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.889 0.876 . . . . 0.0 112.906 171.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -66.45 -41.08 89.63 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.332 1.053 . . . . 0.0 110.643 176.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.1 mt -63.21 -49.78 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 O-C-N 121.984 -0.447 . . . . 0.0 110.059 172.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -54.38 -43.97 71.84 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.433 0.561 . . . . 0.0 111.074 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -63.27 -54.62 34.31 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.096 1.758 . . . . 0.0 113.946 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.4 -47.95 82.21 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.261 0.937 . . . . 0.0 110.862 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -75.22 -31.27 60.83 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 117.786 -1.102 . . . . 0.0 111.482 -173.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.1 mt -53.89 -46.72 71.47 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 120.2 1.363 . . . . 0.0 111.728 164.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -66.09 -42.26 89.54 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.923 0.783 . . . . 0.0 111.821 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -65.9 -30.55 71.16 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.037 -1.039 . . . . 0.0 111.747 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 76.7 mt -79.31 -38.84 20.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 125.435 1.494 . . . . 0.0 111.788 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.1 p -80.77 -6.56 9.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 O-C-N 120.96 -1.088 . . . . 0.0 113.407 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -118.14 1.71 11.96 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.771 1.628 . . . . 0.0 113.469 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.1 t -71.06 130.01 40.43 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 120.285 -1.51 . . . . 0.0 111.251 -176.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.96 -37.04 48.38 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.411 0.685 . . . . 0.0 111.184 165.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.5 m -95.33 117.49 30.4 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 125.178 1.391 . . . . 0.0 112.474 -171.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -71.06 -39.25 72.32 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.455 -0.778 . . . . 0.0 112.813 -177.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 95.9 p -65.36 -3.38 4.09 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 173.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -98.49 -24.97 14.93 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.359 1.063 . . . . 0.0 113.162 170.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 79.5 mt -57.78 -46.01 85.19 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.82 1.191 . . . . 0.0 110.862 174.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -62.93 -23.98 67.64 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 177.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.5 mm -87.45 -35.75 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 124.349 1.06 . . . . 0.0 113.207 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 54.8 mt -58.1 -26.11 62.19 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.436 1.016 . . . . 0.0 112.364 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 46.1 mtm -57.61 -46.55 83.93 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.161 0.984 . . . . 0.0 113.367 167.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 33.6 mtm -75.78 -42.76 49.27 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 118.304 -0.855 . . . . 0.0 111.306 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.62 -45.86 90.71 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.45 1.023 . . . . 0.0 112.195 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.3 t -65.04 -32.68 74.52 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 118.516 0.598 . . . . 0.0 112.097 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -65.83 -45.87 80.67 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.26 0.936 . . . . 0.0 111.411 173.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.7 m -59.55 -33.9 71.99 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.948 0.794 . . . . 0.0 112.161 173.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -67.37 -44.84 77.96 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 118.989 0.813 . . . . 0.0 112.121 173.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.9 t -64.56 -46.32 92.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 123.374 0.67 . . . . 0.0 110.71 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -62.56 -41.9 99.21 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.4 1.48 . . . . 0.0 111.745 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -64.56 -46.31 83.33 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 121.173 -0.955 . . . . 0.0 112.338 172.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.63 97.4 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.888 0.767 . . . . 0.0 111.878 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 68.0 t -59.23 -57.11 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 118.799 0.727 . . . . 0.0 109.941 169.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -61.05 -16.82 48.01 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -175.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.61 -46.86 9.71 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 127.554 2.342 . . . . 0.0 113.669 170.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -78.76 -6.07 54.93 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.78 -14.43 62.95 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.975 1.31 . . . . 0.0 114.021 170.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.321 0 N-CA-C 118.208 2.67 . . . . 0.0 118.208 -166.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 90.5 mt . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 118.046 -0.978 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -77.48 -36.09 53.06 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 121.746 2.066 . . . . 0.0 114.06 -163.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 p -66.34 -18.24 65.24 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.268 1.427 . . . . 0.0 114.081 169.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -98.16 -45.48 6.2 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 126.13 1.772 . . . . 0.0 109.713 -173.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -62.84 -29.89 71.08 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 124.085 0.954 . . . . 0.0 112.356 172.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -65.09 -38.52 91.01 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.729 1.15 . . . . 0.0 111.414 174.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -67.0 -44.31 80.68 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 111.466 0.173 . . . . 0.0 111.466 173.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.57 -40.31 96.63 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.435 ' HE ' ' CD2' ' A' ' 50' ' ' LEU . 6.8 ptm180 -65.7 -41.11 92.74 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.299 -0.876 . . . . 0.0 111.117 172.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -61.3 -41.4 96.92 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 118.633 -0.699 . . . . 0.0 111.645 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -57.51 -48.29 79.67 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 122.831 0.452 . . . . 0.0 112.173 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.0 m -72.07 -28.73 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 177.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -66.22 -35.73 81.19 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.051 1.296 . . . . 0.0 112.497 168.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.432 ' HA ' ' HE3' ' A' ' 17' ' ' LYS . 55.6 mt-10 -73.16 -38.47 66.21 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.15 -0.969 . . . . 0.0 112.316 175.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -66.41 -42.71 87.39 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.93 0.786 . . . . 0.0 112.004 173.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.7 t -60.27 -51.63 70.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-O 117.588 -1.196 . . . . 0.0 110.827 171.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 14' ' ' GLU . 11.2 ptpt -66.1 -33.15 75.12 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 121.463 1.938 . . . . 0.0 112.851 -177.019 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -60.17 -47.19 86.96 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.471 1.108 . . . . 0.0 110.259 172.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.6 mm -79.73 -31.23 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 123.601 0.76 . . . . 0.0 111.719 -173.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.7 t -61.3 -48.27 89.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.41 1.084 . . . . 0.0 109.995 165.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.85 -43.8 97.66 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 124.101 0.858 . . . . 0.0 113.008 175.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -60.51 -37.5 81.35 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.792 1.237 . . . . 0.0 113.037 172.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.5 p -57.57 -41.56 81.33 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.429 1.013 . . . . 0.0 111.816 -175.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -75.1 -38.02 61.3 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.067 0.947 . . . . 0.0 112.195 172.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.71 -29.01 69.99 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -80.69 -5.42 57.0 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 120.945 -1.097 . . . . 0.0 113.641 170.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.9 m -123.75 179.05 4.94 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.462 1.505 . . . . 0.0 112.977 -165.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.6 p -133.21 172.64 12.4 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.448 1.499 . . . . 0.0 109.953 174.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -59.54 -22.83 62.25 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 120.54 -1.35 . . . . 0.0 112.924 177.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -65.87 -22.73 66.55 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.338 1.455 . . . . 0.0 113.754 170.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -105.81 3.38 28.67 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 126.598 1.959 . . . . 0.0 114.021 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 -50.58 -38.71 46.94 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.563 1.945 . . . . 0.0 114.603 -169.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 m -74.97 -28.04 60.4 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.078 -1.014 . . . . 0.0 113.406 178.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.9 mt -70.34 -43.28 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.538 0.735 . . . . 0.0 109.36 173.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 p -61.51 -45.46 94.1 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 118.456 -0.783 . . . . 0.0 112.283 177.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.4 p -64.71 -30.68 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 CA-C-N 119.996 1.271 . . . . 0.0 112.444 177.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.94 -42.76 84.76 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 119.63 1.105 . . . . 0.0 113.091 174.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.6 tp -64.91 -37.5 87.85 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.256 -0.902 . . . . 0.0 111.571 171.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.1 t -71.11 -34.79 56.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 O-C-N 120.972 -1.08 . . . . 0.0 112.403 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -56.7 -40.85 76.35 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.758 0.823 . . . . 0.0 110.984 168.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -73.58 -42.76 61.15 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 123.345 0.658 . . . . 0.0 112.054 177.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.9 mt -59.15 -39.21 81.74 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 120.283 -1.51 . . . . 0.0 112.374 176.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -62.81 -35.71 80.77 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.581 0.752 . . . . 0.0 112.316 169.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -66.89 -43.89 82.29 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.524 0.73 . . . . 0.0 110.34 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.9 mt -60.76 -47.27 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 118.671 0.669 . . . . 0.0 110.276 171.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -53.22 -47.48 68.93 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.404 0.547 . . . . 0.0 111.581 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -77.17 -43.64 33.14 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.803 0.841 . . . . 0.0 112.493 -175.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -51.78 -45.06 63.66 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.536 0.734 . . . . 0.0 111.686 172.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -84.58 -31.04 24.54 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 117.964 -1.017 . . . . 0.0 112.804 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.435 ' CD2' ' HE ' ' A' ' 9' ' ' ARG . 7.6 mt -52.64 -47.61 66.95 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 120.866 1.666 . . . . 0.0 111.332 169.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -61.38 -41.92 97.87 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.123 0.569 . . . . 0.0 112.109 177.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -73.99 -21.21 60.08 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.069 0.948 . . . . 0.0 113.414 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.7 mt -84.98 -42.91 16.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 124.555 1.142 . . . . 0.0 110.948 175.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.8 p -68.49 -28.1 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 CA-C-N 119.92 1.236 . . . . 0.0 112.531 174.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -111.92 27.05 10.01 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 177.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.1 t -76.49 152.6 36.04 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.394 0.616 . . . . 0.0 109.871 162.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.6 t -121.54 -1.15 9.61 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.304 1.041 . . . . 0.0 113.049 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.6 m -130.05 126.58 38.0 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.792 1.637 . . . . 0.0 110.326 -176.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -70.57 -22.08 62.61 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.196 -0.94 . . . . 0.0 113.022 -172.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.2 p -60.28 -56.08 25.9 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 125.91 1.684 . . . . 0.0 111.174 166.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -62.79 -35.23 79.17 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.836 1.254 . . . . 0.0 112.445 -174.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.9 mt -51.35 -42.79 61.55 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.805 0.73 . . . . 0.0 111.996 172.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -75.41 -35.82 60.95 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.7 mm -70.4 -33.93 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 120.618 -1.301 . . . . 0.0 112.766 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.5 mt -55.68 -26.87 47.09 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.992 -1.067 . . . . 0.0 113.046 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 38.9 mtm -68.69 -21.66 64.41 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 172.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 33.9 mtm -98.68 -34.38 10.57 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 126.014 1.726 . . . . 0.0 111.884 177.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -65.86 -47.33 75.27 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.491 0.716 . . . . 0.0 112.056 172.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.1 t -60.21 -43.05 96.27 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.391 -0.818 . . . . 0.0 111.477 173.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.0 mtm180 -60.71 -39.39 88.4 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.188 -0.945 . . . . 0.0 113.234 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.6 m -55.4 -46.7 76.59 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.485 0.714 . . . . 0.0 111.418 171.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -70.95 -27.8 64.01 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.7 t -72.16 -41.2 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 120.999 -1.063 . . . . 0.0 111.084 172.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -62.58 -36.66 83.4 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.725 0.693 . . . . 0.0 111.41 171.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -62.2 -49.31 76.31 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.056 -1.027 . . . . 0.0 112.191 169.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.17 94.94 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.422 -0.799 . . . . 0.0 111.821 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.13 -54.36 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.268 0.627 . . . . 0.0 110.124 173.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.4 t -65.62 -19.23 65.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 117.94 -1.029 . . . . 0.0 113.452 -175.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -75.0 -57.43 3.91 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.722 1.609 . . . . 0.0 111.728 168.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -72.51 -22.37 61.05 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -171.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.12 -10.02 36.88 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.807 1.643 . . . . 0.0 115.133 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? . . . . . 0 C--O 1.251 1.139 0 C-N-CA 124.337 1.055 . . . . 0.0 113.151 177.655 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 N--CA 1.485 1.301 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -61.2 -30.34 70.36 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -177.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.5 p -81.94 -30.84 31.58 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.227 0.922 . . . . 0.0 112.203 170.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.3 -46.46 89.78 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.059 1.344 . . . . 0.0 111.567 174.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -24.57 60.94 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.444 0.698 . . . . 0.0 112.238 -177.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.25 -33.55 43.46 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.896 1.278 . . . . 0.0 113.92 176.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -77.13 -39.16 50.29 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.056 0.844 . . . . 0.0 111.912 169.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.31 -46.73 82.92 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.402 0.681 . . . . 0.0 112.54 175.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -65.78 -36.69 84.26 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.489 -0.757 . . . . 0.0 112.702 178.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -66.86 -41.46 87.3 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.92 0.888 . . . . 0.0 111.009 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -63.61 -45.04 92.12 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.237 0.615 . . . . 0.0 112.46 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.3 m -72.11 -29.4 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.11 -46.77 87.47 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.317 0.962 . . . . 0.0 110.647 165.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -63.79 -43.22 96.96 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 176.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -65.11 -45.38 85.39 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.836 0.743 . . . . 0.0 111.275 178.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 49.5 t -66.21 -49.32 76.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 117.85 -1.071 . . . . 0.0 111.435 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -62.59 -33.71 75.52 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.793 1.633 . . . . 0.0 112.274 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -67.58 -47.34 70.03 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.305 0.502 . . . . 0.0 110.037 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.9 mm -68.0 -31.71 53.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 C-N-CA 123.582 0.753 . . . . 0.0 111.508 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.4 t -61.77 -43.71 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.449 1.099 . . . . 0.0 111.607 168.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.6 -44.77 94.57 Favored Glycine 0 CA--C 1.534 1.269 0 CA-C-N 118.829 0.74 . . . . 0.0 112.804 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -62.74 -33.62 75.53 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.724 -0.868 . . . . 0.0 112.593 176.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.3 t -57.71 -44.12 85.7 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.67 1.188 . . . . 0.0 111.957 174.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -71.66 -40.53 69.59 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.107 -0.995 . . . . 0.0 112.292 171.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.25 -10.71 56.55 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.1 ptmm? -118.32 9.81 12.59 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.484 1.514 . . . . 0.0 114.929 176.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.0 p -126.42 -176.48 3.68 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.389 1.476 . . . . 0.0 110.741 171.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 p -129.89 165.19 22.55 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.124 -0.985 . . . . 0.0 110.937 174.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -50.22 -28.71 8.05 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.256 1.422 . . . . 0.0 113.482 174.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.3 -34.13 77.6 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.428 0.691 . . . . 0.0 112.408 177.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.8 mmm-85 -98.73 12.05 36.71 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.02 1.328 . . . . 0.0 113.518 -173.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -50.62 -33.01 20.61 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.718 1.607 . . . . 0.0 114.885 -166.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 36.1 m -60.95 -40.68 94.21 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.13 0.972 . . . . 0.0 113.058 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.6 mt -69.35 -41.95 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.708 0.803 . . . . 0.0 109.491 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m -60.23 -45.27 93.8 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.612 0.765 . . . . 0.0 111.021 175.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.2 t -64.41 -39.63 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 124.268 1.027 . . . . 0.0 112.098 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.3 87.0 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.322 0.965 . . . . 0.0 111.738 174.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.3 tp -64.48 -39.79 94.46 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.842 -0.536 . . . . 0.0 112.002 176.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.6 t -67.07 -38.22 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.156 0.983 . . . . 0.0 112.3 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -68.22 -34.84 77.0 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.599 -0.688 . . . . 0.0 111.882 173.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -73.17 -41.49 63.82 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.983 0.81 . . . . 0.0 112.202 175.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 mt -51.16 -41.37 60.11 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.185 1.394 . . . . 0.0 111.82 168.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -75.09 -23.75 58.04 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 174.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -67.55 -46.14 73.63 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 120.545 1.52 . . . . 0.0 109.624 170.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.2 mt -62.54 -42.08 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 123.065 0.546 . . . . 0.0 110.406 174.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -59.27 -49.16 78.92 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.227 0.922 . . . . 0.0 111.74 173.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.96 -49.84 67.85 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.288 1.435 . . . . 0.0 112.394 174.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -65.15 -40.93 95.04 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.937 0.895 . . . . 0.0 111.658 -176.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -85.48 -26.7 26.12 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.304 -0.855 . . . . 0.0 112.67 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 33.6 mt -58.21 -45.05 88.35 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 120.199 1.363 . . . . 0.0 110.918 163.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -59.34 -42.53 91.71 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.265 0.484 . . . . 0.0 111.504 174.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -68.29 -30.25 69.21 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.417 -0.802 . . . . 0.0 113.088 177.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.4 mt -85.37 -34.12 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 124.632 1.173 . . . . 0.0 111.572 -176.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.3 p -75.32 -41.14 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 121.099 -1.001 . . . . 0.0 111.498 169.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -97.98 25.52 5.96 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.782 1.233 . . . . 0.0 113.189 -176.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t -74.2 134.46 42.75 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 121.282 -0.886 . . . . 0.0 109.717 166.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 t -91.36 -7.26 51.38 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.788 0.835 . . . . 0.0 112.628 167.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.5 m -123.62 132.09 53.78 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.059 1.744 . . . . 0.0 111.274 -169.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -74.36 -57.7 3.77 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -172.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.5 m -68.6 -20.86 64.52 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.497 1.499 . . . . 0.0 112.56 -174.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -56.56 -34.69 67.35 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.482 1.113 . . . . 0.0 112.044 168.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.1 mt -57.89 -34.51 69.88 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.934 0.894 . . . . 0.0 111.984 174.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -75.47 -36.31 60.69 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 122.619 0.368 . . . . 0.0 111.262 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 20.0 mm -73.01 -34.75 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 O-C-N 121.1 -1.0 . . . . 0.0 112.083 177.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.1 mt -56.16 -25.98 48.61 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.959 0.904 . . . . 0.0 112.857 174.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 41.7 mtm -65.55 -43.41 89.97 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.149 0.886 . . . . 0.0 112.403 170.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 42.6 mtm -77.6 -36.15 52.12 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.139 -0.976 . . . . 0.0 112.156 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -64.95 -47.58 77.15 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 121.611 -0.681 . . . . 0.0 112.075 172.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.2 p -63.64 -37.27 86.71 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 118.851 -0.595 . . . . 0.0 112.334 176.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -56.81 -47.61 79.85 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.345 1.058 . . . . 0.0 111.819 170.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.3 t -65.25 -36.14 83.21 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.32 0.648 . . . . 0.0 112.414 177.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -69.49 -41.51 76.03 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.651 1.181 . . . . 0.0 112.087 176.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.2 -49.95 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.652 1.181 . . . . 0.0 111.139 172.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -72.82 -12.85 61.15 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -75.69 -44.44 42.2 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.12 -0.987 . . . . 0.0 112.039 165.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.49 -41.17 98.62 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.469 0.577 . . . . 0.0 110.863 175.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.7 t -58.12 -59.49 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 118.391 0.542 . . . . 0.0 110.241 169.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.1 t -50.17 -38.09 37.94 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.317 1.047 . . . . 0.0 113.534 -177.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -86.12 -38.21 18.0 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.33 1.052 . . . . 0.0 113.393 -177.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -71.72 -27.15 62.81 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 120.416 1.462 . . . . 0.0 112.701 174.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -61.19 -11.38 8.96 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.303 1.441 . . . . 0.0 114.33 173.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 92.5 mttt . . . . . 0 C--O 1.25 1.079 0 C-N-CA 126.329 1.851 . . . . 0.0 112.317 -175.316 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 113.348 0.869 . . . . 0.0 113.348 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.418 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 7.5 p-10 -45.94 -47.12 16.46 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 128.875 2.87 . . . . 0.0 114.804 171.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 p -61.48 -39.21 90.1 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.062 1.745 . . . . 0.0 111.727 173.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -71.52 -45.08 63.4 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.557 1.143 . . . . 0.0 111.841 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.418 ' HG3' ' HA ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER -68.84 -19.9 64.28 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.124 -0.985 . . . . 0.0 113.512 177.752 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -79.35 -45.01 20.43 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.165 0.586 . . . . 0.0 112.549 170.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -72.85 -37.87 67.25 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.286 -0.884 . . . . 0.0 112.514 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.56 98.62 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.915 1.286 . . . . 0.0 113.091 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.44 ' HB2' HD23 ' A' ' 50' ' ' LEU . 8.9 ptm85 -65.72 -34.81 79.05 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 118.942 -0.552 . . . . 0.0 111.29 174.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -61.69 -50.15 73.63 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 118.259 -0.876 . . . . 0.0 111.612 172.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -54.29 -44.17 71.71 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.05 0.94 . . . . 0.0 112.478 -176.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.8 m -68.98 -33.73 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 O-C-N 121.232 -0.917 . . . . 0.0 113.365 174.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -67.83 -31.62 71.59 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 120.963 -1.086 . . . . 0.0 113.139 170.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.9 -38.99 87.29 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.199 1.363 . . . . 0.0 111.413 173.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -74.57 -46.13 40.78 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.988 -0.445 . . . . 0.0 112.074 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.5 t -61.26 -43.86 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 120.939 -1.1 . . . . 0.0 111.075 176.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -65.68 -31.47 72.5 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 120.489 1.495 . . . . 0.0 113.197 178.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -64.72 -53.12 52.3 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 118.587 0.63 . . . . 0.0 109.686 175.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.5 mm -67.86 -37.45 78.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 124.086 0.955 . . . . 0.0 111.327 -175.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.8 t -61.79 -46.19 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 O-C-N 121.287 -0.883 . . . . 0.0 111.218 170.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.22 -44.55 97.55 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 118.763 0.71 . . . . 0.0 113.289 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -67.51 -36.0 80.19 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 117.776 0.788 . . . . 0.0 112.392 176.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.1 t -60.1 -48.8 80.22 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.403 1.081 . . . . 0.0 111.642 172.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.407 ' CE2' HG21 ' A' ' 39' ' ' VAL . 3.8 m-85 -62.42 -27.71 69.29 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.93 -32.96 26.93 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 176.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -86.81 -20.68 27.2 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 120.301 1.41 . . . . 0.0 113.578 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.1 t -49.06 149.28 1.99 Allowed 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 126.808 2.043 . . . . 0.0 112.287 164.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 62.0 m -154.26 152.99 30.95 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.88 1.272 . . . . 0.0 109.74 175.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -53.37 -26.1 18.02 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 116.28 1.955 . . . . 0.0 116.28 -169.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -66.02 -18.9 65.64 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.932 1.693 . . . . 0.0 113.789 173.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -130.91 19.55 5.02 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.969 1.707 . . . . 0.0 113.92 -173.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -57.18 -33.49 67.52 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -167.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.1 p -60.7 -38.01 83.6 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.539 1.136 . . . . 0.0 113.226 172.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.2 mt -69.19 -40.05 80.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 123.732 0.813 . . . . 0.0 110.038 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.6 m -59.2 -53.33 59.5 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.867 0.467 . . . . 0.0 110.912 174.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.5 p -65.58 -31.84 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 118.709 0.686 . . . . 0.0 111.99 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.94 -50.35 68.99 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.269 0.941 . . . . 0.0 112.514 172.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.0 tp -66.37 -35.58 80.7 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.959 0.8 . . . . 0.0 112.108 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.407 HG21 ' CE2' ' A' ' 24' ' ' TYR . 44.8 t -65.08 -39.13 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 121.226 -0.921 . . . . 0.0 111.806 175.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -67.27 -39.5 86.07 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 118.865 -0.588 . . . . 0.0 111.628 171.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -64.15 -42.04 96.93 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.132 0.878 . . . . 0.0 111.69 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.6 mt -57.1 -44.04 82.85 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.892 1.277 . . . . 0.0 112.374 172.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -72.49 -25.31 61.37 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 117.832 -1.08 . . . . 0.0 113.233 174.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -68.45 -48.34 64.79 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 126.618 1.967 . . . . 0.0 109.935 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.6 mt -62.36 -46.03 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.857 -0.527 . . . . 0.0 109.964 171.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -57.14 -49.22 76.59 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 118.607 0.639 . . . . 0.0 111.578 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -59.53 -49.22 78.61 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.777 2.031 . . . . 0.0 112.383 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -60.04 -50.6 73.09 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.386 1.074 . . . . 0.0 111.213 174.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -75.33 -33.18 61.11 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 120.83 -1.169 . . . . 0.0 112.414 -174.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.44 HD23 ' HB2' ' A' ' 9' ' ' ARG . 41.4 mt -53.82 -43.33 69.3 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.883 1.22 . . . . 0.0 110.745 166.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -70.07 -40.95 74.74 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.856 0.862 . . . . 0.0 112.268 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -66.26 -34.95 79.16 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 121.208 -0.932 . . . . 0.0 112.096 177.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 68.7 mt -74.36 -43.35 49.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 124.446 1.098 . . . . 0.0 111.092 -177.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.73 -33.57 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 119.688 1.131 . . . . 0.0 112.05 174.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -82.66 1.11 40.05 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 t -74.67 161.68 29.44 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 120.638 -1.289 . . . . 0.0 112.497 -174.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.6 t -109.89 -27.58 9.19 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -166.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.8 m -145.09 138.25 26.53 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.111 0.964 . . . . 0.0 112.571 -168.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -57.46 -33.72 68.26 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.247 1.819 . . . . 0.0 114.13 -177.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.9 p -59.71 -54.77 42.51 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.896 1.278 . . . . 0.0 111.985 172.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -68.82 -30.89 69.54 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.478 -0.764 . . . . 0.0 111.649 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.1 mt -59.58 -40.33 87.03 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.185 0.994 . . . . 0.0 112.568 171.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -64.88 -41.86 95.28 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 118.806 0.73 . . . . 0.0 111.666 172.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.4 mm -69.81 -34.1 59.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 O-C-N 120.597 -1.314 . . . . 0.0 112.283 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.2 mt -56.71 -27.37 58.9 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.456 0.909 . . . . 0.0 113.456 175.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 41.6 mtm -62.81 -52.51 62.88 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.512 0.596 . . . . 0.0 111.549 170.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 34.5 mtm -69.39 -36.13 76.47 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 124.129 0.971 . . . . 0.0 112.198 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -60.59 -50.78 72.17 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.033 0.833 . . . . 0.0 111.578 171.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.3 t -65.5 -36.25 83.28 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.593 -0.692 . . . . 0.0 111.57 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -67.22 -47.17 71.64 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.309 0.959 . . . . 0.0 112.507 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.0 t -55.04 -48.17 73.8 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.476 1.51 . . . . 0.0 110.876 173.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -72.5 -27.25 62.15 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.395 -0.816 . . . . 0.0 112.594 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.9 t -66.49 -46.78 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 119.372 0.987 . . . . 0.0 111.42 167.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -65.38 -31.1 72.03 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 122.963 0.505 . . . . 0.0 111.972 176.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -67.03 -39.17 86.96 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.442 1.097 . . . . 0.0 112.333 169.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.66 80.71 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 120.896 -1.128 . . . . 0.0 111.425 175.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.52 -54.55 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.264 0.625 . . . . 0.0 109.798 167.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.8 t -59.23 -39.65 83.41 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.097 0.862 . . . . 0.0 112.655 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -56.92 -32.58 66.09 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.838 1.655 . . . . 0.0 113.006 173.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -97.13 -27.66 14.47 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.532 1.133 . . . . 0.0 113.815 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -74.22 -20.66 60.11 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.408 1.083 . . . . 0.0 113.681 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.2 mttp . . . . . 0 C--O 1.247 0.966 0 C-N-CA 125.567 1.547 . . . . 0.0 113.178 178.247 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 N--CA 1.483 1.221 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.476 ' HA ' ' HG2' ' A' ' 5' ' ' ARG . 27.4 t70 -63.71 -38.12 89.91 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.955 1.302 . . . . 0.0 113.751 -174.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -74.49 -26.88 60.29 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.737 -1.227 . . . . 0.0 111.922 171.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -66.95 -43.32 83.46 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 120.375 -1.453 . . . . 0.0 111.783 172.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.476 ' HG2' ' HA ' ' A' ' 2' ' ' ASP . 6.5 ptp85 -67.67 -31.24 71.08 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 119.14 -0.457 . . . . 0.0 111.507 173.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -63.65 -48.74 76.0 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 124.13 0.972 . . . . 0.0 111.907 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -57.22 -46.27 83.07 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.75 0.82 . . . . 0.0 110.562 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.7 -47.6 77.77 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -63.94 -40.07 95.6 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.63 1.105 . . . . 0.0 111.961 179.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -63.35 -40.39 97.16 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.647 0.658 . . . . 0.0 112.537 177.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -68.16 -44.75 75.28 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 m -70.42 -31.13 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 175.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.69 -49.52 77.16 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 118.995 0.816 . . . . 0.0 110.656 168.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -60.67 -39.49 88.6 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 119.54 1.063 . . . . 0.0 112.902 174.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -63.51 -41.39 98.52 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.556 1.071 . . . . 0.0 111.911 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.6 t -68.64 -47.1 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 O-C-N 121.047 -1.033 . . . . 0.0 111.567 172.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -61.93 -31.77 72.12 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 120.397 1.453 . . . . 0.0 112.502 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -63.52 -55.95 19.93 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.941 1.296 . . . . 0.0 110.542 169.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.0 mm -72.33 -24.73 22.39 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 123.368 0.667 . . . . 0.0 112.436 -170.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.4 t -63.05 -45.59 98.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 O-C-N 120.587 -1.321 . . . . 0.0 110.926 164.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.7 -33.97 82.03 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.049 0.833 . . . . 0.0 113.8 176.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -61.26 -48.08 83.07 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 121.433 -1.039 . . . . 0.0 110.728 165.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.8 m -63.78 -34.89 78.91 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.118 -0.989 . . . . 0.0 112.955 -175.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -69.94 -39.09 76.29 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.396 -0.815 . . . . 0.0 112.765 170.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.05 -33.93 76.91 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.385 0.993 . . . . 0.0 113.183 174.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -84.53 12.92 6.13 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.933 2.093 . . . . 0.0 113.369 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.2 p -143.61 -157.12 0.75 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.281 1.032 . . . . 0.0 112.477 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -150.97 151.69 32.46 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.621 1.568 . . . . 0.0 109.253 -167.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -59.24 -39.66 83.47 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 120.102 -1.623 . . . . 0.0 112.461 174.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -58.98 -18.04 30.41 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.282 1.433 . . . . 0.0 113.447 170.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -111.87 8.93 20.59 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 127.866 2.466 . . . . 0.0 113.988 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.3 p-80 -52.3 -31.22 31.98 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -175.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.2 m -57.67 -37.74 73.93 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.601 1.091 . . . . 0.0 111.8 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.9 mm -72.93 -45.99 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 124.969 1.308 . . . . 0.0 109.547 177.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.87 -42.38 97.53 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.543 0.737 . . . . 0.0 111.622 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -61.88 -33.59 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.241 1.417 . . . . 0.0 111.502 177.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.21 -49.7 63.55 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.562 1.073 . . . . 0.0 112.061 172.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.8 tp -61.74 -36.97 82.54 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.401 0.68 . . . . 0.0 112.173 177.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.9 t -73.84 -34.34 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.35 1.06 . . . . 0.0 112.423 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -59.82 -42.44 93.52 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.352 0.524 . . . . 0.0 110.936 168.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -69.05 -44.2 73.12 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 122.661 0.384 . . . . 0.0 111.53 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.6 mt -55.86 -38.3 69.93 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 120.608 -1.308 . . . . 0.0 112.519 172.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -68.11 -36.7 80.18 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.459 -0.776 . . . . 0.0 112.814 170.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -67.38 -44.59 78.54 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.607 0.763 . . . . 0.0 109.819 -176.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 68.2 mt -61.86 -47.21 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 124.217 1.007 . . . . 0.0 110.637 173.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -55.69 -51.49 67.09 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 118.789 0.722 . . . . 0.0 111.449 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -85.35 -19.48 31.38 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -168.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -59.07 -54.62 44.95 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 157.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.403 ' CD2' ' HB3' ' A' ' 69' ' ' SER . 11.9 m-85 -68.97 -28.03 66.25 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 118.275 -0.869 . . . . 0.0 113.336 -175.123 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.3 mt -57.2 -36.32 70.7 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 120.137 1.335 . . . . 0.0 112.176 167.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -71.11 -46.03 62.5 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.252 0.933 . . . . 0.0 111.741 169.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.0 mtpt -61.95 -25.99 67.93 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 121.006 -1.059 . . . . 0.0 112.729 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.7 mt -92.05 -42.68 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 126.921 2.089 . . . . 0.0 111.571 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 p -65.95 -35.54 75.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.996 1.271 . . . . 0.0 111.625 174.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -85.74 7.02 25.24 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 176.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.427 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -80.97 151.43 28.49 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 122.216 1.007 . . . . 0.0 111.976 168.304 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.0 t -137.26 0.88 2.37 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.504 1.522 . . . . 0.0 112.689 -168.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 m -140.64 121.49 14.47 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.008 1.323 . . . . 0.0 111.72 -169.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -61.02 -44.38 97.5 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -172.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.9 m -71.1 -9.98 58.99 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -177.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -96.76 -40.2 9.08 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.434 1.093 . . . . 0.0 111.774 168.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.427 HD21 ' HB3' ' A' ' 56' ' ' SER . 11.4 mt -52.41 -43.25 64.68 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.141 1.376 . . . . 0.0 113.103 177.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -65.89 -22.66 66.53 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.7 mm -84.11 -31.74 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 O-C-N 120.732 -1.23 . . . . 0.0 112.755 177.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.02 -29.6 44.26 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.226 0.921 . . . . 0.0 111.821 172.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 56.4 mtm -58.01 -51.03 71.34 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.278 0.631 . . . . 0.0 112.107 170.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 30.1 mtm -70.8 -42.25 70.56 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.589 1.156 . . . . 0.0 112.706 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -58.79 -35.35 72.67 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.781 0.833 . . . . 0.0 112.201 174.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.403 ' HB3' ' CD2' ' A' ' 49' ' ' TYR . 10.5 p -72.99 -41.44 64.33 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 171.056 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -65.52 -36.77 84.81 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.747 1.219 . . . . 0.0 112.641 -174.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.8 t -55.85 -49.4 73.43 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.774 0.671 . . . . 0.0 111.004 168.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -66.3 -37.54 85.66 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.711 0.804 . . . . 0.0 113.013 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.85 -46.32 85.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 118.611 0.641 . . . . 0.0 111.033 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.09 -28.72 64.54 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.779 -0.629 . . . . 0.0 112.145 173.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -67.46 -37.72 83.36 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.771 1.169 . . . . 0.0 113.183 174.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.37 -44.38 92.74 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.254 0.622 . . . . 0.0 110.716 173.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 24.0 t -66.16 -41.14 88.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 121.785 -0.572 . . . . 0.0 110.888 171.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.18 -33.69 63.22 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.953 1.701 . . . . 0.0 112.545 178.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -71.26 -38.98 71.85 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.616 1.166 . . . . 0.0 112.892 173.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -83.36 -21.34 33.14 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -176.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -94.04 7.51 44.86 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -173.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 116.906 -1.521 . . . . 0.0 114.267 169.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 N--CA 1.482 1.166 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.406 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 8.7 t0 -86.88 -42.35 13.29 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 120.134 1.334 . . . . 0.0 111.74 -175.311 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 p -59.94 -19.63 53.01 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.152 -0.968 . . . . 0.0 113.059 165.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.79 -58.48 3.24 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.324 1.45 . . . . 0.0 112.33 168.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.556 ' HB3' HD13 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -63.05 -26.55 68.89 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.146 -0.972 . . . . 0.0 113.081 -176.432 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -67.91 -28.06 67.18 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 173.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -78.36 -44.34 25.31 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 122.604 0.362 . . . . 0.0 110.334 169.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.42 -41.95 77.22 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.281 1.032 . . . . 0.0 112.686 -177.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -66.42 -32.16 73.36 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -81.64 -36.1 29.23 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 124.776 1.23 . . . . 0.0 111.531 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -56.27 -42.96 78.29 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.264 1.026 . . . . 0.0 111.971 173.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.1 m -72.37 -27.45 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 176.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -64.99 -40.8 95.5 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.459 1.027 . . . . 0.0 111.852 165.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -71.89 -14.25 61.89 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -80.82 -59.49 2.65 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.367 -0.833 . . . . 0.0 110.708 159.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.45 HG13 ' HB3' ' A' ' 42' ' ' LEU . 11.1 t -54.16 -51.69 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 124.167 0.987 . . . . 0.0 113.09 -176.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -63.83 -34.88 78.92 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 120.464 1.484 . . . . 0.0 112.463 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -72.58 -45.55 58.6 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.392 0.677 . . . . 0.0 110.489 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.2 mm -61.92 -35.99 71.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 124.604 1.161 . . . . 0.0 111.028 176.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.441 HG22 HG22 ' A' ' 39' ' ' VAL . 35.1 t -60.96 -52.69 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.895 0.878 . . . . 0.0 111.105 168.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.31 -40.31 97.28 Favored Glycine 0 CA--C 1.537 1.414 0 CA-C-N 119.154 0.888 . . . . 0.0 113.894 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -74.96 -31.04 61.38 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.254 -1.145 . . . . 0.0 112.196 175.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 t -77.24 -6.5 53.31 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 120.462 -1.399 . . . . 0.0 114.079 170.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -85.16 -31.65 23.14 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.356 0.98 . . . . 0.0 111.803 157.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.44 -34.07 75.33 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.558 1.072 . . . . 0.0 113.494 176.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . 0.323 21.5 pttp -87.44 18.74 3.66 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 170.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.4 m -129.6 179.58 5.74 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.99 1.716 . . . . 0.0 111.668 177.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.2 m -129.22 155.53 45.4 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 126.012 1.725 . . . . 0.0 108.816 168.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -45.74 -46.17 14.92 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.036 1.334 . . . . 0.0 113.839 174.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.37 -34.76 64.57 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 120.969 -1.082 . . . . 0.0 113.61 173.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -93.64 11.0 30.42 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.735 2.014 . . . . 0.0 113.867 176.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -51.58 -32.51 28.76 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.93 1.241 . . . . 0.0 112.511 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.69 -42.59 11.81 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 127.983 2.513 . . . . 0.0 112.762 174.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.1 mt -70.04 -47.05 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.244 1.018 . . . . 0.0 110.042 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.5 m -68.18 -35.22 77.68 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.81 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 49.8 t -64.28 -43.61 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 CA-C-N 120.467 1.485 . . . . 0.0 111.044 174.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.06 85.78 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.789 -0.569 . . . . 0.0 112.486 175.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.9 tp -74.31 -35.34 63.66 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.583 0.753 . . . . 0.0 112.777 173.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.441 HG22 HG22 ' A' ' 20' ' ' VAL . 22.9 t -59.32 -43.56 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 120.474 1.488 . . . . 0.0 110.78 173.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.52 -34.75 76.05 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.172 0.589 . . . . 0.0 111.807 176.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -74.39 -46.08 42.7 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.782 0.833 . . . . 0.0 112.295 173.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.45 ' HB3' HG13 ' A' ' 16' ' ' VAL . 77.4 mt -57.76 -39.25 76.98 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.429 -1.419 . . . . 0.0 111.085 177.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -69.49 -31.79 70.27 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 117.735 -1.126 . . . . 0.0 113.775 171.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -62.79 -50.5 70.76 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.324 1.45 . . . . 0.0 110.448 174.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.1 mt -62.6 -47.45 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 118.109 0.413 . . . . 0.0 110.236 175.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -53.97 -47.12 71.7 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.769 0.827 . . . . 0.0 111.63 176.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -66.41 -47.19 74.06 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.818 1.647 . . . . 0.0 112.353 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -60.51 -42.1 95.71 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.734 -0.604 . . . . 0.0 111.266 176.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -78.11 -35.92 48.6 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 118.304 -0.855 . . . . 0.0 111.802 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.5 mt -50.77 -45.95 59.27 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.319 1.418 . . . . 0.0 111.208 166.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -71.41 -40.06 70.71 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.102 0.561 . . . . 0.0 111.799 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -60.57 -36.58 78.85 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.321 -0.862 . . . . 0.0 112.442 171.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.1 mt -81.45 -27.86 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 123.618 0.767 . . . . 0.0 112.084 -171.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.8 p -77.06 -37.54 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 O-C-N 121.062 -1.024 . . . . 0.0 112.354 165.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -95.09 -1.59 51.77 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -172.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.1 t -63.44 145.81 54.86 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 121.025 -1.047 . . . . 0.0 110.752 175.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.8 t -115.2 14.0 16.86 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.426 1.49 . . . . 0.0 111.873 175.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 m -134.89 112.84 10.99 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.684 1.594 . . . . 0.0 110.766 -174.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.481 ' HA ' HD12 ' A' ' 62' ' ' LEU . 18.6 pt-20 -71.9 -28.42 63.48 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -178.044 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.8 p -61.35 -55.92 26.21 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.248 1.019 . . . . 0.0 110.772 169.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -55.9 -37.01 68.31 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.548 1.139 . . . . 0.0 112.188 176.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.556 HD13 ' HB3' ' A' ' 5' ' ' ARG . 27.5 mt -56.58 -40.22 74.84 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.391 0.996 . . . . 0.0 112.959 177.266 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -75.93 -35.27 59.81 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.574 0.625 . . . . 0.0 112.305 176.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.4 mm -70.72 -32.78 50.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 O-C-N 120.731 -1.23 . . . . 0.0 111.989 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.9 mt -55.16 -28.43 52.79 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.143 0.977 . . . . 0.0 112.67 175.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 49.6 mtm -64.3 -47.16 80.53 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.133 0.878 . . . . 0.0 112.106 171.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 12.3 mmt -71.43 -38.74 71.34 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.814 1.246 . . . . 0.0 111.262 -178.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -61.7 -52.2 65.27 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.143 0.977 . . . . 0.0 111.448 171.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -40.18 93.99 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.652 1.115 . . . . 0.0 111.543 177.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -55.01 -51.82 65.07 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.003 0.921 . . . . 0.0 111.07 172.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.4 t -69.3 -34.4 74.64 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -65.64 -40.71 92.8 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.352 1.061 . . . . 0.0 110.833 175.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.446 HG13 ' CD2' ' A' ' 42' ' ' LEU . 17.8 t -64.36 -47.37 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.459 1.504 . . . . 0.0 111.64 172.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -61.68 -41.23 97.28 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.311 0.645 . . . . 0.0 111.421 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -65.84 -39.83 91.19 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.668 -0.645 . . . . 0.0 111.84 172.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.59 -36.53 83.03 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 119.534 1.061 . . . . 0.0 112.01 177.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.5 t -61.16 -51.4 73.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 118.653 0.661 . . . . 0.0 110.301 169.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.0 t -60.24 -35.59 75.82 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.544 0.738 . . . . 0.0 112.895 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -66.55 -15.08 63.14 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.478 1.911 . . . . 0.0 113.344 175.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -105.48 -12.79 15.85 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.617 1.967 . . . . 0.0 113.922 170.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -73.6 -19.59 60.83 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 120.058 -1.651 . . . . 0.0 114.093 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.94 0 C-N-CA 125.441 1.496 . . . . 0.0 113.504 -176.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 10.4 mp . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 119.094 -0.479 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -68.9 -38.75 79.82 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -173.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 m -62.47 -26.96 68.8 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.315 -1.491 . . . . 0.0 112.223 166.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.36 -38.05 65.84 Favored 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 124.065 0.946 . . . . 0.0 112.735 175.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.518 ' HA ' HD22 ' A' ' 62' ' ' LEU . 26.4 ptt180 -72.08 -32.2 66.8 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 118.743 -0.646 . . . . 0.0 111.42 172.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -72.02 -42.37 66.46 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 178.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -64.45 -41.43 96.55 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.925 172.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.97 -48.79 75.05 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -63.26 -38.25 90.43 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.32 -0.863 . . . . 0.0 112.156 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -66.65 -39.77 88.38 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.607 0.763 . . . . 0.0 111.982 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -63.55 -44.38 94.35 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.174 1.39 . . . . 0.0 112.609 177.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.1 m -77.84 -29.25 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 121.273 -0.892 . . . . 0.0 112.072 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -58.43 -54.12 50.62 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.925 1.29 . . . . 0.0 111.695 167.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.46 -35.63 81.07 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.41 0.55 . . . . 0.0 112.462 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -69.87 -44.0 70.7 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.53 -0.731 . . . . 0.0 112.322 176.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 t -60.52 -48.96 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 119.513 1.051 . . . . 0.0 111.464 175.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -64.74 -34.08 77.48 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 120.369 1.44 . . . . 0.0 112.478 177.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -70.46 -42.21 71.74 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.631 0.65 . . . . 0.0 110.303 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.9 mm -72.48 -29.73 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 124.609 1.163 . . . . 0.0 112.138 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.7 t -59.24 -44.16 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 119.531 1.059 . . . . 0.0 110.36 162.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.62 -43.84 97.35 Favored Glycine 0 CA--C 1.535 1.322 0 O-C-N 121.621 -0.675 . . . . 0.0 114.03 172.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -63.46 -32.52 73.99 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.63 1.215 . . . . 0.0 112.08 173.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.2 t -63.21 -47.95 80.36 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.158 -0.964 . . . . 0.0 111.091 171.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -72.51 1.14 8.63 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 171.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.4 -37.23 12.09 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.05 -1.031 . . . . 0.0 112.045 164.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.6 ptpt -95.44 -15.32 23.06 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 115.613 1.708 . . . . 0.0 115.613 -178.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.8 p -90.49 -177.42 5.05 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.792 1.178 . . . . 0.0 114.115 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.16 156.58 43.52 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.107 2.163 . . . . 0.0 109.786 -175.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -41.5 -43.3 2.61 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.799 1.64 . . . . 0.0 112.903 163.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.41 -20.56 65.65 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.583 1.153 . . . . 0.0 113.056 178.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -120.35 27.8 8.39 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.289 2.236 . . . . 0.0 112.46 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.5 t60 -52.54 -44.74 65.98 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.675 -0.64 . . . . 0.0 111.426 176.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.2 m -46.68 -51.84 15.11 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.207 1.403 . . . . 0.0 113.595 171.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.3 mm -67.71 -34.58 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 123.69 0.796 . . . . 0.0 110.301 -175.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.3 m -67.09 -44.2 80.63 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.266 1.026 . . . . 0.0 111.088 174.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 75.6 t -65.35 -40.05 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.442 1.097 . . . . 0.0 111.903 175.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.28 83.29 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.412 0.551 . . . . 0.0 111.439 175.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.0 tp -66.52 -34.41 77.85 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.802 0.728 . . . . 0.0 112.488 176.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.0 t -58.68 -48.18 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 121.077 -1.014 . . . . 0.0 111.642 170.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -68.57 -30.71 69.53 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 119.01 -0.519 . . . . 0.0 112.168 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -69.6 -47.97 61.7 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.768 0.713 . . . . 0.0 111.801 173.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.3 mt -57.93 -36.35 72.38 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 120.567 -1.333 . . . . 0.0 111.43 174.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -72.78 -27.28 61.91 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 171.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -71.59 -49.05 44.1 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.316 1.446 . . . . 0.0 109.062 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 75.6 mt -59.0 -44.65 91.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 124.64 1.176 . . . . 0.0 110.186 173.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -60.21 -53.95 51.57 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 118.259 0.481 . . . . 0.0 111.779 176.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -58.43 -44.9 89.3 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.018 0.927 . . . . 0.0 112.112 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -58.48 -52.43 65.67 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.236 1.014 . . . . 0.0 111.139 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -77.91 -28.33 49.75 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 118.097 -0.954 . . . . 0.0 113.497 -176.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.5 mt -59.58 -43.53 93.63 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 120.649 1.568 . . . . 0.0 111.066 166.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.1 -28.16 66.24 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 118.408 0.549 . . . . 0.0 112.433 178.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -70.18 -48.96 54.98 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 118.934 0.788 . . . . 0.0 110.291 170.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.8 mt -62.66 -42.07 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 125.619 1.568 . . . . 0.0 111.68 -175.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.9 -30.86 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 O-C-N 120.581 -1.325 . . . . 0.0 113.654 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -96.1 1.2 52.29 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.118 1.767 . . . . 0.0 113.134 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.483 ' HB2' HD21 ' A' ' 62' ' ' LEU . 14.3 m -71.52 105.21 3.53 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 120.607 -1.308 . . . . 0.0 112.835 -173.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.3 t -81.74 30.53 0.37 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.628 1.571 . . . . 0.0 112.953 -177.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.9 m -162.1 127.23 3.39 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.786 1.634 . . . . 0.0 112.256 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -73.03 -28.56 62.42 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.7 p -57.81 -59.65 4.91 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.467 1.507 . . . . 0.0 110.662 169.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -54.52 -41.26 69.47 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.751 1.22 . . . . 0.0 112.261 176.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.518 HD22 ' HA ' ' A' ' 5' ' ' ARG . 18.2 mt -56.49 -41.02 75.91 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 178.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -67.72 -39.91 84.3 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.116 0.416 . . . . 0.0 111.593 174.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.2 mm -68.75 -33.69 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 O-C-N 120.726 -1.234 . . . . 0.0 112.171 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.8 mt -58.8 -26.15 63.81 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.446 -0.784 . . . . 0.0 113.109 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 35.9 mtm -64.45 -49.64 70.64 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.159 0.89 . . . . 0.0 111.321 170.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 30.9 mtm -68.75 -41.07 79.43 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.479 0.712 . . . . 0.0 112.054 -179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -64.7 -46.02 84.11 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.341 0.656 . . . . 0.0 112.21 176.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.7 p -66.27 -36.83 83.99 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.272 -0.893 . . . . 0.0 112.247 175.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -58.77 -44.79 90.72 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.044 0.838 . . . . 0.0 111.496 171.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 75.7 m -60.36 -41.43 93.65 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 118.394 -0.812 . . . . 0.0 112.214 174.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -65.65 -40.4 92.44 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.736 1.153 . . . . 0.0 113.383 174.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.6 t -63.24 -44.83 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.281 0.633 . . . . 0.0 110.847 177.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -69.26 -40.46 77.83 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 122.955 0.502 . . . . 0.0 111.95 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -55.91 -42.49 76.14 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.143 1.377 . . . . 0.0 111.63 172.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.6 73.03 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.789 0.835 . . . . 0.0 111.73 176.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.9 t -56.94 -47.51 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.312 0.96 . . . . 0.0 110.745 174.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.0 t -68.1 -33.07 73.84 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -67.06 -34.99 78.89 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.83 1.252 . . . . 0.0 112.619 171.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -82.52 -29.16 30.61 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -89.4 16.99 6.64 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt . . . . . 0 C--O 1.248 0.975 0 CA-C-O 116.159 -1.877 . . . . 0.0 112.529 171.918 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -50.67 -44.01 57.54 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.482 1.913 . . . . 0.0 115.823 -178.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -74.18 -30.46 62.24 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.319 -0.863 . . . . 0.0 111.975 177.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.96 -46.09 58.69 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.878 1.271 . . . . 0.0 111.099 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -2.84 12.92 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.83 -39.71 11.61 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.616 1.566 . . . . 0.0 113.747 160.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -66.78 -43.78 83.08 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.961 1.304 . . . . 0.0 112.605 178.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.09 -40.95 97.33 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.424 0.69 . . . . 0.0 112.619 176.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.2 ptt85 -72.0 -32.21 66.98 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 120.88 -1.138 . . . . 0.0 113.099 175.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -60.57 -38.42 84.5 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.785 0.834 . . . . 0.0 111.983 174.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -61.89 -49.01 77.93 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.409 0.684 . . . . 0.0 111.862 176.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.8 m -78.88 -26.5 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -56.84 -52.57 64.57 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.34 1.056 . . . . 0.0 111.196 167.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -73.1 -26.17 61.15 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.727 0.694 . . . . 0.0 112.556 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -66.56 -53.02 39.13 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.744 0.702 . . . . 0.0 111.975 171.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.2 t -55.11 -50.93 59.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.561 1.145 . . . . 0.0 110.256 172.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -60.09 -38.83 84.1 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.203 1.001 . . . . 0.0 112.949 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -67.86 -45.43 74.59 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.577 0.626 . . . . 0.0 110.891 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.0 mm -71.0 -29.67 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 C-N-CA 123.668 0.787 . . . . 0.0 111.524 -177.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.7 t -62.42 -45.66 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.684 1.194 . . . . 0.0 111.03 166.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.37 -43.6 98.83 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 123.38 0.514 . . . . 0.0 113.173 175.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -72.17 -32.38 66.78 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.276 1.03 . . . . 0.0 113.374 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.7 t -55.43 -46.91 76.65 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.377 1.071 . . . . 0.0 111.192 172.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -68.67 -47.84 65.46 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.972 -0.455 . . . . 0.0 112.118 170.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.36 -30.8 71.87 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -172.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -80.19 -4.82 54.62 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.715 1.206 . . . . 0.0 113.948 175.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 t -130.09 -164.36 1.41 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.226 1.411 . . . . 0.0 113.323 -164.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.0 p -150.23 164.69 35.05 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.071 1.748 . . . . 0.0 113.358 -169.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -67.08 -17.66 64.98 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.574 1.149 . . . . 0.0 112.9 177.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.4 mppt? -63.53 -41.0 98.49 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.76 0.824 . . . . 0.0 111.414 168.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -96.01 18.11 14.07 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.035 1.334 . . . . 0.0 113.759 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -57.83 -36.37 72.17 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -165.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 m -58.57 -38.98 79.05 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.884 0.874 . . . . 0.0 112.398 175.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 40.1 mt -72.08 -42.27 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.23 1.012 . . . . 0.0 109.905 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.9 p -63.2 -43.34 98.44 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.72 -0.612 . . . . 0.0 112.007 173.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 43.5 t -61.75 -40.04 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 123.549 0.74 . . . . 0.0 111.544 175.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.1 -46.83 76.25 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.401 1.001 . . . . 0.0 112.334 176.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.4 tp -61.89 -39.41 91.86 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.613 -0.679 . . . . 0.0 111.894 174.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 53.3 t -69.07 -39.84 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 121.078 -1.013 . . . . 0.0 112.171 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -57.67 -41.6 81.84 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 119.127 -0.463 . . . . 0.0 111.314 170.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -71.01 -45.76 63.38 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.711 0.687 . . . . 0.0 112.323 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.3 mt -53.2 -39.77 63.95 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 120.739 -1.226 . . . . 0.0 112.08 173.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -77.35 -26.11 51.68 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 174.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -70.27 -44.59 68.13 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.221 1.008 . . . . 0.0 109.662 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 58.7 mt -57.85 -45.12 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 124.524 1.129 . . . . 0.0 109.885 169.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -61.73 -41.87 98.21 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 118.171 -0.919 . . . . 0.0 112.366 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -63.89 -43.57 95.61 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.909 1.231 . . . . 0.0 112.581 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -63.89 -51.71 63.31 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 123.402 0.439 . . . . 0.0 111.272 172.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -76.69 -24.34 53.18 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.947 -1.095 . . . . 0.0 113.069 -171.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.2 mt -58.53 -46.19 87.3 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 120.179 1.354 . . . . 0.0 110.611 162.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.82 -21.31 62.48 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.662 0.785 . . . . 0.0 112.918 178.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -79.19 -48.86 13.47 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.346 1.059 . . . . 0.0 111.886 169.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.9 mt -67.99 -39.95 82.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.647 0.779 . . . . 0.0 111.043 -174.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.9 p -60.68 -27.78 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 O-C-N 120.872 -1.142 . . . . 0.0 112.24 173.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -110.59 3.42 19.38 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.195 1.798 . . . . 0.0 113.651 -166.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.8 t -63.02 124.19 20.47 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.341 -1.474 . . . . 0.0 109.712 -177.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.9 t -74.54 -29.24 61.3 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.5 t -97.5 131.47 44.09 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.3 1.04 . . . . 0.0 111.944 174.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -77.39 -6.79 54.66 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.083 0.953 . . . . 0.0 113.288 171.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.4 t -87.1 -43.05 12.57 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.894 0.878 . . . . 0.0 110.013 166.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -61.3 -32.89 72.74 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 118.418 -0.801 . . . . 0.0 112.269 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.6 mt -48.24 -45.09 33.83 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.655 1.116 . . . . 0.0 112.899 170.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -73.56 -21.66 60.3 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.4 mm -77.41 -37.78 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 124.013 0.925 . . . . 0.0 112.653 170.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -53.76 -28.31 33.87 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.884 1.22 . . . . 0.0 112.321 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 69.8 mtm -58.28 -49.32 77.56 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.05 0.94 . . . . 0.0 113.062 170.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 33.7 mtm -71.99 -36.84 69.88 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.182 0.993 . . . . 0.0 111.398 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -62.47 -51.3 68.01 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.247 0.476 . . . . 0.0 112.125 175.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 t -68.15 -30.44 69.56 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 117.736 -1.126 . . . . 0.0 112.544 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 -58.89 -47.03 86.42 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.432 1.469 . . . . 0.0 111.617 167.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.4 m -60.31 -41.54 93.67 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.066 0.848 . . . . 0.0 112.222 174.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HE2' ' HA ' ' A' ' 72' ' ' LYS . 10.9 mmpt? -65.26 -40.11 93.53 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.323 0.965 . . . . 0.0 112.48 176.01 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.7 t -66.09 -45.73 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.312 1.045 . . . . 0.0 111.415 176.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -65.51 -38.2 89.0 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.991 0.916 . . . . 0.0 111.975 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -59.84 -44.96 93.81 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 124.438 1.095 . . . . 0.0 111.652 169.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.62 -46.96 87.56 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.434 1.016 . . . . 0.0 111.853 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.7 t -59.54 -47.46 90.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 O-C-N 121.597 -0.689 . . . . 0.0 110.687 174.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.0 t -62.92 -34.15 76.84 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.012 0.925 . . . . 0.0 112.661 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -70.03 -41.58 74.07 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.836 1.254 . . . . 0.0 111.906 175.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -83.63 -16.33 45.6 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 -177.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -9.69 59.05 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 172.073 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? . . . . . 0 C--O 1.247 0.961 0 C-N-CA 124.268 1.027 . . . . 0.0 111.965 166.977 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 118.838 -0.601 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -60.83 -47.94 84.06 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -156.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.6 p -76.37 -23.07 54.12 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 120.282 -1.511 . . . . 0.0 113.752 176.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -68.33 -39.68 81.85 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.68 0.792 . . . . 0.0 112.235 170.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.2 ptt85 -74.48 -32.07 62.43 Favored 'General case' 0 N--CA 1.463 0.203 0 O-C-N 121.505 -0.747 . . . . 0.0 111.732 173.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -66.71 -45.01 80.12 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 118.273 0.488 . . . . 0.0 111.46 177.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -66.3 -38.38 87.6 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 119.2 -0.429 . . . . 0.0 111.213 174.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.32 -38.33 90.74 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -72.13 -42.11 66.38 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.828 0.74 . . . . 0.0 112.482 169.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -69.94 -25.94 63.89 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 118.091 -0.957 . . . . 0.0 113.175 -174.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -55.88 -64.62 0.79 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.575 1.55 . . . . 0.0 110.43 162.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.0 m -70.27 -24.46 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 121.583 -0.698 . . . . 0.0 112.716 -172.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.02 -35.97 77.24 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 117.818 -1.087 . . . . 0.0 112.836 168.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -40.54 76.23 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 120.973 1.715 . . . . 0.0 109.33 169.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -63.51 -48.81 76.06 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.961 0.905 . . . . 0.0 111.39 -172.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.0 t -61.34 -52.16 64.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 123.842 0.857 . . . . 0.0 111.198 175.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -68.26 -28.21 67.01 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 120.391 1.45 . . . . 0.0 113.098 -177.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -72.23 -49.24 36.75 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.855 1.262 . . . . 0.0 110.278 175.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.9 mm -69.78 -28.95 38.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 123.79 0.836 . . . . 0.0 111.455 -177.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.9 t -56.8 -48.69 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-N 119.293 0.951 . . . . 0.0 110.788 163.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.08 -47.27 91.03 Favored Glycine 0 CA--C 1.533 1.218 0 CA-C-N 118.746 0.703 . . . . 0.0 113.601 175.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -61.74 -31.28 71.45 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.503 -0.998 . . . . 0.0 112.293 175.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.8 p -69.37 -43.75 72.92 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 121.545 -0.722 . . . . 0.0 112.121 175.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -67.6 -36.17 80.36 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.495 0.589 . . . . 0.0 111.956 173.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -26.12 66.06 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.485 0.921 . . . . 0.0 113.485 174.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 pttp -108.38 14.25 24.93 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 174.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.8 p -84.88 171.94 11.8 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.626 1.17 . . . . 0.0 113.325 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.3 p -142.31 160.15 40.83 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.673 1.189 . . . . 0.0 110.336 166.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -51.47 -38.31 53.16 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.324 1.05 . . . . 0.0 111.825 167.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -68.18 -32.46 72.73 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.912 2.485 . . . . 0.0 113.313 -178.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.4 mmm-85 -117.11 26.95 9.42 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.781 1.632 . . . . 0.0 112.443 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -57.77 -39.31 77.16 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.539 -0.726 . . . . 0.0 112.023 -176.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.4 m -48.95 -43.22 39.58 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.589 1.556 . . . . 0.0 113.638 173.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.7 mm -65.95 -40.58 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 124.176 0.991 . . . . 0.0 110.353 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.5 m -68.73 -46.16 69.64 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.035 0.934 . . . . 0.0 109.837 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.1 t -56.44 -48.77 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.239 1.016 . . . . 0.0 111.094 173.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.87 -46.05 89.7 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.108 0.867 . . . . 0.0 112.269 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.9 tp -58.69 -49.89 75.91 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.225 1.01 . . . . 0.0 111.842 174.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.03 -36.01 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 121.239 -0.913 . . . . 0.0 112.217 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -71.34 -27.34 63.3 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 176.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -83.85 -39.89 19.35 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.765 0.826 . . . . 0.0 112.397 173.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.2 mt -54.73 -42.91 72.14 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.648 -1.282 . . . . 0.0 112.39 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -74.66 -23.95 58.74 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.72 1.008 . . . . 0.0 113.72 177.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -63.23 -46.51 86.63 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.44 1.896 . . . . 0.0 110.92 173.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.6 mt -60.0 -41.49 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.68 0.792 . . . . 0.0 109.59 172.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -56.3 -45.25 80.32 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 118.355 -0.831 . . . . 0.0 111.65 177.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -62.02 -52.52 63.65 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.282 0.946 . . . . 0.0 112.003 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -58.62 -39.46 80.55 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.05 0.94 . . . . 0.0 112.044 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -87.19 -29.88 21.42 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 118.378 -0.82 . . . . 0.0 112.632 -178.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.8 mt -55.57 -42.1 74.24 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 120.426 1.466 . . . . 0.0 112.04 169.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -61.46 -49.09 78.22 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.875 0.87 . . . . 0.0 111.492 172.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -62.84 -32.81 74.1 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.185 -0.947 . . . . 0.0 111.959 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 76.2 mt -74.25 -32.7 32.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 C-N-CA 125.03 1.332 . . . . 0.0 111.746 178.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.9 p -78.72 -31.8 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 O-C-N 120.227 -1.546 . . . . 0.0 112.91 169.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -81.55 -3.27 52.76 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.41 ' HB2' HD21 ' A' ' 62' ' ' LEU . 6.2 m -74.12 132.87 42.67 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 124.352 1.061 . . . . 0.0 113.202 -174.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.9 p -96.51 -4.99 40.46 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.179 1.392 . . . . 0.0 114.229 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.1 m -137.12 135.31 37.3 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.632 1.173 . . . . 0.0 112.737 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 56.9 mp0 -53.08 -35.1 59.22 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.521 1.128 . . . . 0.0 112.599 165.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.0 t -56.67 -59.92 4.31 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.718 0.807 . . . . 0.0 112.193 176.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -64.83 -32.19 73.77 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.417 -0.802 . . . . 0.0 111.915 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.41 HD21 ' HB2' ' A' ' 56' ' ' SER . 39.8 mt -56.59 -43.39 80.02 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.036 0.834 . . . . 0.0 112.616 175.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -66.08 -41.95 90.03 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.366 0.53 . . . . 0.0 111.419 175.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.5 mm -69.15 -32.29 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 O-C-N 120.696 -1.253 . . . . 0.0 112.251 -177.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.2 mt -59.02 -28.66 66.61 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.103 0.865 . . . . 0.0 113.123 173.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 32.0 mtm -62.61 -54.23 42.72 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 118.856 0.753 . . . . 0.0 110.546 168.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 31.5 mtm -66.11 -34.51 78.21 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.127 0.971 . . . . 0.0 112.768 -176.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -68.28 -47.36 67.87 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.774 1.229 . . . . 0.0 112.232 172.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.8 t -61.12 -43.8 98.33 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.683 -0.636 . . . . 0.0 110.913 175.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.2 mtp85 -60.87 -44.74 96.63 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.728 1.611 . . . . 0.0 112.456 175.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.9 m -57.76 -40.69 80.35 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.902 0.881 . . . . 0.0 111.608 175.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -76.81 -26.63 54.63 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 177.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.1 t -67.96 -49.56 67.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 123.989 0.915 . . . . 0.0 110.944 168.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -63.52 -36.5 83.98 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.023 0.929 . . . . 0.0 111.975 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -63.2 -50.25 71.02 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 118.352 -0.832 . . . . 0.0 111.008 168.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.65 -47.01 80.71 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 120.075 1.307 . . . . 0.0 111.346 -177.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.7 t -53.27 -58.18 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.22 0.608 . . . . 0.0 110.171 172.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.5 m -65.72 -30.79 71.51 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.934 1.294 . . . . 0.0 113.348 -171.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -73.87 -32.07 63.45 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 128.48 2.712 . . . . 0.0 112.546 174.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -84.95 -7.06 59.31 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 169.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -71.74 -6.61 42.58 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 119.865 -1.772 . . . . 0.0 114.618 172.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.031 0 C-N-CA 125.451 1.5 . . . . 0.0 114.352 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.663 0.268 . . . . 0.0 111.49 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.63 -47.74 84.89 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.341 1.856 . . . . 0.0 110.908 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 p -66.18 -17.93 65.03 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 126.603 1.961 . . . . 0.0 114.319 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -89.58 -46.64 8.52 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 124.101 0.96 . . . . 0.0 111.462 174.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -69.51 -26.24 64.44 Favored 'General case' 0 C--N 1.332 -0.169 0 O-C-N 121.713 -0.617 . . . . 0.0 112.593 -178.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -60.58 -39.51 88.3 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.827 0.739 . . . . 0.0 112.164 171.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -66.01 -42.22 89.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 122.489 0.316 . . . . 0.0 110.858 175.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.75 92.65 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -65.7 -35.19 80.06 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 121.047 -1.033 . . . . 0.0 112.196 173.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -62.42 -46.4 88.72 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.978 0.808 . . . . 0.0 110.905 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -57.33 -46.53 83.18 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.923 0.783 . . . . 0.0 112.631 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.6 m -73.54 -30.06 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -62.0 -47.67 83.74 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.925 0.89 . . . . 0.0 111.601 169.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -61.46 -48.07 82.8 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.329 1.051 . . . . 0.0 112.473 175.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -64.6 -42.8 95.34 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.542 0.61 . . . . 0.0 111.666 -176.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.7 t -63.47 -50.82 76.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 O-C-N 121.552 -0.718 . . . . 0.0 110.942 174.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -72.8 -25.61 61.21 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.78 1.173 . . . . 0.0 114.009 -174.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -60.35 -46.77 88.74 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.552 1.141 . . . . 0.0 109.582 168.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.6 mt -80.01 -26.36 12.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 124.009 0.924 . . . . 0.0 111.763 -172.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.4 t -58.45 -49.68 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 CA-C-N 119.343 0.974 . . . . 0.0 111.188 161.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.15 -42.34 99.47 Favored Glycine 0 CA--C 1.535 1.282 0 O-C-N 121.464 -0.772 . . . . 0.0 113.413 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -74.25 -19.35 60.54 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 176.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.9 t -66.82 -51.57 54.09 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.383 1.073 . . . . 0.0 110.677 169.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -59.71 -24.54 64.06 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 171.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.49 -13.97 59.79 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -116.1 -28.94 6.44 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.4 p -77.14 -179.55 5.67 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.669 1.122 . . . . 0.0 112.412 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 t -132.47 153.43 50.89 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.281 1.432 . . . . 0.0 109.487 167.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -62.89 -17.86 62.22 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 173.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -12.73 61.34 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 168.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -129.26 31.96 4.77 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 127.11 2.164 . . . . 0.0 111.158 170.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -47.43 -38.75 14.04 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.175 1.39 . . . . 0.0 112.299 -172.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -39.71 -42.43 1.24 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 129.521 3.128 . . . . 0.0 114.487 173.319 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 50.2 mm -68.97 -48.19 71.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.139 0.976 . . . . 0.0 110.226 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -49.01 77.89 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.203 1.001 . . . . 0.0 111.594 175.207 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.8 p -72.06 -35.4 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 118.745 -0.645 . . . . 0.0 112.28 -175.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.48 93.18 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.579 1.081 . . . . 0.0 111.746 173.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 tp -64.59 -40.76 96.11 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.309 0.644 . . . . 0.0 111.936 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 50.5 t -63.95 -40.62 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 O-C-N 120.922 -1.111 . . . . 0.0 111.871 173.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -62.76 -32.61 73.79 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.366 1.066 . . . . 0.0 112.357 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -85.84 -39.98 16.48 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.164 0.893 . . . . 0.0 113.023 171.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -51.07 -43.19 60.97 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.403 -1.435 . . . . 0.0 112.587 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -77.62 -23.81 49.72 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 176.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -68.51 -49.42 59.76 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.812 1.245 . . . . 0.0 110.16 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.2 mt -54.85 -46.79 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 124.112 0.965 . . . . 0.0 109.506 172.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -62.78 -43.65 98.25 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 118.667 -0.683 . . . . 0.0 112.203 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.75 -44.69 82.0 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.092 0.957 . . . . 0.0 112.204 175.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -71.49 -48.54 48.47 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.544 0.738 . . . . 0.0 110.968 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.455 ' CD2' ' HB2' ' A' ' 69' ' ' SER . 6.4 m-85 -68.38 -35.76 78.16 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-O 117.421 -1.276 . . . . 0.0 112.164 -177.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.6 mt -55.4 -44.98 76.66 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.402 1.455 . . . . 0.0 112.107 170.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -61.63 -37.48 84.14 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.134 0.425 . . . . 0.0 111.208 174.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -74.94 -14.47 60.64 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.368 1.067 . . . . 0.0 113.211 175.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.5 mm -75.74 -54.56 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-N 120.388 1.449 . . . . 0.0 109.999 168.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.7 p -66.95 -25.49 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 O-C-N 121.477 -0.765 . . . . 0.0 112.071 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -110.13 25.12 12.14 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.532 1.533 . . . . 0.0 113.076 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -67.76 150.59 48.46 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.39 -0.819 . . . . 0.0 112.038 169.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.3 p -117.14 -10.35 10.86 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -168.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.5 m -145.01 151.24 38.26 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.234 1.414 . . . . 0.0 110.65 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -71.68 -33.68 69.03 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.258 -0.901 . . . . 0.0 112.402 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.9 p -67.82 -40.75 83.76 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.638 1.175 . . . . 0.0 111.919 170.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -59.33 -37.5 77.96 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.038 0.935 . . . . 0.0 111.828 177.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.9 mt -57.68 -35.77 71.03 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 173.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -66.62 -47.64 71.99 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.915 0.78 . . . . 0.0 111.163 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.6 mm -71.75 -31.17 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 120.831 -1.168 . . . . 0.0 111.875 -171.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -48.34 -34.86 11.33 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.634 1.174 . . . . 0.0 113.065 168.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 31.3 mtm -68.63 -49.63 57.65 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.321 0.648 . . . . 0.0 112.255 176.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -68.37 -37.03 80.04 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.634 0.773 . . . . 0.0 111.722 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -67.26 -42.89 83.15 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.095 -1.003 . . . . 0.0 111.793 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.455 ' HB2' ' CD2' ' A' ' 49' ' ' TYR . 2.6 t -63.46 -39.7 95.16 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.273 0.942 . . . . 0.0 112.673 170.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -58.17 -45.75 86.94 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.984 1.265 . . . . 0.0 111.336 174.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.9 t -66.75 -34.7 78.42 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 175.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -62.74 -40.36 96.99 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 120.866 -1.146 . . . . 0.0 112.035 169.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.2 t -70.89 -37.1 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 118.542 0.61 . . . . 0.0 111.167 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -59.62 -41.05 89.56 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.83 0.741 . . . . 0.0 112.238 170.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -62.84 -43.21 99.41 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.381 0.991 . . . . 0.0 111.299 172.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.29 -45.43 94.51 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.507 -0.745 . . . . 0.0 111.856 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 72.3 t -61.57 -52.46 60.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.359 -0.838 . . . . 0.0 110.694 174.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.3 p -60.93 -41.43 96.21 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 121.717 -0.614 . . . . 0.0 111.902 -175.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -77.59 -3.99 43.58 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.817 2.047 . . . . 0.0 115.047 178.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -118.91 -9.21 10.14 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 168.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.99 -23.0 66.49 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 120.866 -1.146 . . . . 0.0 113.225 172.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.147 0 C-N-CA 126.981 2.112 . . . . 0.0 111.665 170.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.95 -60.61 2.91 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 127.146 2.179 . . . . 0.0 114.914 -178.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -60.58 -31.52 70.66 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.488 1.04 . . . . 0.0 112.759 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -68.33 -49.66 58.75 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.883 1.673 . . . . 0.0 111.847 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.3 ptt85 -68.1 -22.27 64.92 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -71.74 -53.22 14.15 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.086 0.554 . . . . 0.0 111.401 170.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -62.57 -36.29 82.22 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 120.893 -1.129 . . . . 0.0 112.608 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.69 80.67 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.287 1.035 . . . . 0.0 112.717 172.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.9 ptt85 -69.32 -34.53 74.81 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.272 -0.893 . . . . 0.0 112.44 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -67.9 -38.86 83.53 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.133 -0.937 . . . . 0.0 112.034 177.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -57.08 -43.16 81.87 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.157 0.89 . . . . 0.0 112.131 176.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.6 m -74.91 -25.63 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -66.61 -44.56 81.79 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.569 1.077 . . . . 0.0 111.984 165.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -57.73 -47.89 81.14 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.691 1.132 . . . . 0.0 112.741 174.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -65.49 -42.17 92.48 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.266 0.484 . . . . 0.0 111.766 -178.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.3 t -57.04 -45.47 83.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 O-C-N 121.383 -0.823 . . . . 0.0 111.095 169.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -65.16 -37.1 86.31 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 120.506 1.503 . . . . 0.0 113.412 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -61.77 -51.66 67.42 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.198 0.599 . . . . 0.0 110.53 172.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.6 mm -69.9 -32.07 50.38 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 124.763 1.225 . . . . 0.0 111.452 -174.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.1 t -59.42 -45.05 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.886 1.275 . . . . 0.0 110.816 167.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.9 -44.19 97.79 Favored Glycine 0 CA--C 1.532 1.131 0 CA-C-N 118.739 0.7 . . . . 0.0 113.089 174.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -67.58 -30.43 70.05 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.447 -1.031 . . . . 0.0 112.436 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.9 t -65.42 -30.15 70.92 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.513 1.525 . . . . 0.0 113.038 171.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.469 ' CD1' HG21 ' A' ' 35' ' ' THR . 52.7 m-85 -75.95 -41.52 51.34 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.286 -0.884 . . . . 0.0 112.094 166.04 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.93 -35.07 79.46 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -175.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.14 -22.24 39.18 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 178.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.6 p -88.97 -159.08 0.54 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.786 1.234 . . . . 0.0 111.889 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.5 m -154.24 152.14 29.97 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.716 2.006 . . . . 0.0 107.28 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -52.57 -42.66 64.67 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 120.49 1.495 . . . . 0.0 113.101 -174.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -60.74 -20.07 60.44 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 175.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -107.58 17.36 22.77 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.426 1.89 . . . . 0.0 112.854 176.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -52.08 -36.22 50.08 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -172.386 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.7 m -56.54 -31.15 63.87 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.146 0.884 . . . . 0.0 112.961 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.9 mm -66.11 -49.22 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 119.18 0.9 . . . . 0.0 110.705 175.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.469 HG21 ' CD1' ' A' ' 24' ' ' TYR . 88.8 m -61.01 -49.04 79.02 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 123.339 0.656 . . . . 0.0 110.454 175.164 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.91 -36.03 69.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 123.879 0.872 . . . . 0.0 111.48 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.65 -47.39 66.66 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.251 0.932 . . . . 0.0 112.877 173.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.6 tp -64.2 -38.69 91.94 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.326 -0.859 . . . . 0.0 111.889 175.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.5 t -62.84 -39.55 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.239 1.416 . . . . 0.0 111.312 174.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -62.06 -42.67 99.43 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.135 0.425 . . . . 0.0 111.843 172.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -65.67 -47.3 75.96 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.403 0.547 . . . . 0.0 110.947 177.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.1 mt -54.08 -44.34 71.1 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.654 1.181 . . . . 0.0 112.281 175.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -67.8 -27.01 66.37 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 174.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -81.51 -36.67 28.94 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.948 1.249 . . . . 0.0 111.468 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 52.6 mt -61.05 -46.75 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 166.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -52.14 -50.08 62.43 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.162 0.585 . . . . 0.0 110.902 173.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.12 -52.01 67.55 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.185 1.394 . . . . 0.0 113.846 177.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -66.27 -36.56 83.3 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.228 0.467 . . . . 0.0 110.894 -177.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -78.58 -32.54 47.73 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 118.28 -0.867 . . . . 0.0 112.812 176.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.3 mt -53.92 -45.13 71.08 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.299 1.408 . . . . 0.0 110.924 166.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -63.82 -49.95 70.84 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.25 0.62 . . . . 0.0 111.768 173.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -67.45 -26.66 66.51 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.364 0.983 . . . . 0.0 112.824 -174.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.5 mt -82.08 -44.39 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 125.266 1.426 . . . . 0.0 110.765 176.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.2 t -70.4 -28.54 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 O-C-N 120.914 -1.116 . . . . 0.0 112.294 177.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -79.83 -7.92 58.98 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.098 -1.001 . . . . 0.0 113.514 173.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.418 ' HB3' HD21 ' A' ' 62' ' ' LEU . 2.5 t -81.9 175.28 10.53 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 120.93 -1.106 . . . . 0.0 113.27 -178.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -142.73 -38.89 0.35 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.79 1.636 . . . . 0.0 112.401 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.2 m -76.95 119.54 20.83 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.99 0.916 . . . . 0.0 112.189 -172.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -71.72 31.73 0.05 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.59 1.556 . . . . 0.0 113.564 174.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 t -127.32 -56.94 1.31 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.794 2.038 . . . . 0.0 108.396 171.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -64.71 -33.24 75.48 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.49 -1.381 . . . . 0.0 112.907 173.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.418 HD21 ' HB3' ' A' ' 56' ' ' SER . 19.3 mt -53.33 -34.85 59.11 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.61 0.764 . . . . 0.0 112.092 169.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -78.26 -44.68 24.84 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.242 0.617 . . . . 0.0 110.515 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.0 mm -66.82 -31.04 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 120.964 -1.085 . . . . 0.0 112.157 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.0 mt -54.68 -28.34 46.87 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 173.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 50.1 mtm -65.83 -49.12 69.33 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.15 0.886 . . . . 0.0 111.885 170.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -69.77 -32.48 71.0 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.521 1.129 . . . . 0.0 112.502 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -65.87 -45.54 81.7 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.762 0.825 . . . . 0.0 111.546 169.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.6 m -61.68 -43.31 99.1 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.139 0.427 . . . . 0.0 111.173 176.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -53.59 -52.23 60.48 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.872 1.669 . . . . 0.0 111.617 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.5 t -65.52 -38.3 89.27 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -73.82 -30.88 62.95 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.7 t -66.15 -46.66 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.856 1.263 . . . . 0.0 110.742 167.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.69 -36.78 85.39 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.51 0.724 . . . . 0.0 112.425 177.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.98 -45.37 89.37 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.005 0.922 . . . . 0.0 111.514 171.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.41 -47.93 80.44 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.551 0.614 . . . . 0.0 111.231 174.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -57.65 -55.55 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 123.624 0.77 . . . . 0.0 110.721 175.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.5 t -75.33 -14.63 60.5 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -172.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -77.87 -27.59 49.77 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.757 2.023 . . . . 0.0 113.003 166.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -95.39 -37.57 10.89 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.917 0.887 . . . . 0.0 113.166 177.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -86.01 3.64 41.38 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -175.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt . . . . . 0 C--O 1.25 1.131 0 C-N-CA 126.925 2.09 . . . . 0.0 110.764 176.768 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 60.7 tp . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.4 ' HA ' ' HG2' ' A' ' 5' ' ' ARG . 34.6 t70 -70.66 -38.3 73.78 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.738 1.215 . . . . 0.0 112.919 -170.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 p -58.92 -20.25 50.14 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.391 1.076 . . . . 0.0 113.437 166.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.75 -35.78 16.5 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.512 1.125 . . . . 0.0 113.023 174.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.4 ' HG2' ' HA ' ' A' ' 2' ' ' ASP . 7.8 ptp85 -69.65 -29.52 67.0 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 121.422 -0.798 . . . . 0.0 112.241 174.198 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -65.12 -44.03 90.05 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.337 0.517 . . . . 0.0 111.831 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -68.19 -37.71 81.23 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.736 -0.603 . . . . 0.0 111.849 172.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.05 -44.42 95.92 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -63.27 -40.53 97.66 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.999 0.818 . . . . 0.0 110.967 174.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -66.68 -43.96 83.08 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 117.712 -1.137 . . . . 0.0 111.613 -177.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -58.34 -44.51 88.74 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.546 1.138 . . . . 0.0 111.689 178.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.3 m -80.34 -30.59 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 121.577 -0.702 . . . . 0.0 112.858 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -63.19 -49.54 73.84 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.9 1.28 . . . . 0.0 111.81 169.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -67.47 -35.44 79.17 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 118.681 0.673 . . . . 0.0 111.366 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -68.91 -47.12 66.57 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.725 1.148 . . . . 0.0 111.554 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.4 t -61.95 -42.73 95.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 O-C-N 121.176 -0.952 . . . . 0.0 111.151 173.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -59.54 -48.12 82.88 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 119.933 1.242 . . . . 0.0 111.929 174.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -53.15 61.25 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.301 1.441 . . . . 0.0 108.928 -178.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.6 mm -61.11 -47.75 92.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 124.638 1.175 . . . . 0.0 111.712 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 39.1 t -60.39 -41.88 88.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 CA-C-N 118.763 0.71 . . . . 0.0 110.727 175.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.65 -34.89 90.93 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 123.901 0.762 . . . . 0.0 114.21 174.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -75.72 -39.18 57.76 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.003 1.402 . . . . 0.0 112.482 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.1 m -64.48 -35.73 81.9 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.125 -0.984 . . . . 0.0 111.693 172.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -71.0 -24.69 62.44 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 168.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.65 -34.97 58.25 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.431 1.014 . . . . 0.0 112.787 175.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -97.7 -18.41 18.87 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -172.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.5 t -77.9 140.79 39.32 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.645 1.111 . . . . 0.0 113.261 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.3 m -80.08 147.98 31.22 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.074 0.95 . . . . 0.0 110.482 165.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -45.7 -43.94 13.15 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.417 1.487 . . . . 0.0 114.136 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -60.5 -19.68 57.69 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 127.301 2.24 . . . . 0.0 113.801 -177.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -120.16 12.13 11.77 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.499 1.919 . . . . 0.0 113.397 -174.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -49.87 -33.02 15.78 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.053 -1.029 . . . . 0.0 113.006 175.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.0 m -46.72 -34.61 5.31 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.993 2.117 . . . . 0.0 114.4 174.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.1 mm -79.88 -37.44 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 123.922 0.889 . . . . 0.0 110.638 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.5 p -63.81 -46.73 83.83 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.465 -0.772 . . . . 0.0 111.621 174.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.2 p -64.07 -33.09 60.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 118.545 -0.74 . . . . 0.0 112.57 176.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.46 -49.67 74.51 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.758 1.163 . . . . 0.0 111.666 170.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.6 tp -61.13 -34.39 74.9 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.073 0.949 . . . . 0.0 112.348 175.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 75.7 t -70.26 -42.84 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 119.965 1.257 . . . . 0.0 111.671 174.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -59.15 -33.93 71.48 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.492 0.717 . . . . 0.0 111.757 174.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -74.68 -53.93 8.35 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.421 1.088 . . . . 0.0 112.231 172.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.0 mt -61.03 -40.69 94.57 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.13 1.372 . . . . 0.0 113.745 -173.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -65.19 -28.3 69.29 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 118.641 -0.695 . . . . 0.0 111.995 174.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -77.79 -42.2 34.75 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.666 0.787 . . . . 0.0 111.169 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.2 mt -57.43 -47.16 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 168.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -58.36 -53.98 52.13 Favored 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 122.743 0.417 . . . . 0.0 111.541 177.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -51.74 -51.17 58.17 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.265 1.826 . . . . 0.0 112.263 178.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -66.88 -44.65 80.36 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.821 0.448 . . . . 0.0 111.947 -178.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -74.92 -28.87 60.79 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 118.194 -0.908 . . . . 0.0 111.881 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 39.3 mt -62.7 -43.32 99.11 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 120.293 1.406 . . . . 0.0 111.827 168.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -58.01 -38.31 75.92 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 118.603 0.638 . . . . 0.0 110.734 172.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -76.4 -11.75 59.94 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.096 1.359 . . . . 0.0 113.384 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 58.0 mt -93.81 -45.18 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.657 1.583 . . . . 0.0 110.924 175.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -66.42 -34.9 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 121.308 -0.87 . . . . 0.0 111.616 175.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -100.45 14.48 31.05 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 176.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.4 132.74 46.84 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.031 -1.043 . . . . 0.0 111.493 168.635 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.8 p -92.78 -5.13 51.81 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.14 1.376 . . . . 0.0 114.149 173.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 m -136.99 119.48 15.9 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.791 1.178 . . . . 0.0 113.36 -170.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -57.92 -35.74 71.49 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 121.04 -1.037 . . . . 0.0 112.564 169.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.3 p -65.43 -17.42 64.53 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.545 1.938 . . . . 0.0 115.036 176.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -102.62 -36.7 8.25 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.034 1.333 . . . . 0.0 111.48 172.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.1 mt -53.44 -42.08 66.76 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.812 1.245 . . . . 0.0 112.597 173.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -62.3 -21.97 65.66 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 177.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.6 mm -95.0 -34.08 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 124.914 1.286 . . . . 0.0 112.697 176.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.2 mt -55.09 -30.24 59.29 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.308 0.958 . . . . 0.0 112.383 175.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 38.0 mtm -58.51 -51.68 68.83 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.948 0.899 . . . . 0.0 113.182 168.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 14.4 mmt -70.01 -42.8 72.55 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.756 1.222 . . . . 0.0 110.882 -175.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -56.74 -48.31 78.09 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.372 1.069 . . . . 0.0 111.208 172.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.1 m -62.23 -43.62 98.41 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.823 -0.548 . . . . 0.0 111.338 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -65.44 -39.15 91.72 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.7 1.2 . . . . 0.0 113.358 -178.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.0 t -60.79 -52.5 64.8 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.49 1.116 . . . . 0.0 111.104 169.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -69.29 -29.9 67.87 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -174.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 26.2 t -66.04 -50.43 69.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.356 1.062 . . . . 0.0 111.223 171.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -61.49 -38.68 88.21 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.769 0.713 . . . . 0.0 112.052 176.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -61.98 -48.55 79.84 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 118.912 -0.566 . . . . 0.0 111.752 173.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.63 -40.6 88.16 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.107 0.867 . . . . 0.0 112.08 177.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.24 -52.4 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.246 1.018 . . . . 0.0 111.134 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.0 t -67.01 -40.4 87.28 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 117.991 0.359 . . . . 0.0 111.48 -177.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -52.15 -41.39 62.52 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.448 1.499 . . . . 0.0 112.278 170.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -83.34 -30.24 27.64 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.436 1.272 . . . . 0.0 114.436 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -95.08 0.78 54.69 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -178.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.2 mttm . . . . . 0 N--CA 1.48 1.068 0 C-N-CA 126.982 2.113 . . . . 0.0 113.512 176.899 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.1 mp . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 119.139 -0.458 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.438 ' HA ' ' HG2' ' A' ' 5' ' ' ARG . 64.1 m-20 -47.52 -47.33 27.85 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 127.411 2.285 . . . . 0.0 112.937 165.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 p -55.41 -37.44 67.63 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.996 1.318 . . . . 0.0 113.087 169.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -72.7 -44.63 61.5 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.356 1.462 . . . . 0.0 113.034 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.438 ' HG2' ' HA ' ' A' ' 2' ' ' ASP . 21.8 ptt180 -73.61 -28.44 61.81 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 118.743 -0.646 . . . . 0.0 111.8 178.108 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -66.61 -46.19 76.69 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 118.981 0.81 . . . . 0.0 110.779 167.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -55.24 -45.94 76.02 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.59 0.632 . . . . 0.0 111.47 174.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.27 -44.02 97.49 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.626 0.77 . . . . 0.0 112.834 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -69.12 -37.47 78.35 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.874 -1.141 . . . . 0.0 113.128 173.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -63.62 -37.65 88.15 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.437 1.017 . . . . 0.0 111.224 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -61.9 -48.39 80.69 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.062 0.945 . . . . 0.0 112.366 173.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.6 m -75.84 -28.77 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 O-C-N 120.694 -1.254 . . . . 0.0 113.098 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.0 -54.51 46.12 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.751 1.22 . . . . 0.0 110.343 168.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -65.31 -36.28 83.58 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -68.72 -45.68 70.91 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.583 0.629 . . . . 0.0 111.256 -179.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.45 -48.4 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 121.285 -0.884 . . . . 0.0 111.107 176.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.41 -28.7 68.13 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.781 1.173 . . . . 0.0 112.99 178.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -63.52 -50.07 71.03 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 118.965 0.802 . . . . 0.0 109.915 169.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.2 mm -69.59 -28.02 36.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 123.299 0.64 . . . . 0.0 111.889 -175.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.3 t -57.83 -50.89 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 CA-C-N 119.528 1.058 . . . . 0.0 110.809 164.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.23 -44.35 97.18 Favored Glycine 0 CA--C 1.535 1.328 0 O-C-N 121.77 -0.581 . . . . 0.0 113.367 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -67.97 -22.37 65.03 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.347 -1.09 . . . . 0.0 113.398 176.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.3 t -74.3 -49.48 22.86 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.577 0.751 . . . . 0.0 110.946 168.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -60.14 -27.79 67.37 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 174.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.71 -33.42 75.83 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 172.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -105.6 -8.93 17.67 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.9 p -87.06 -171.22 3.41 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.475 1.11 . . . . 0.0 111.066 164.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 t -157.58 162.6 38.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.943 1.697 . . . . 0.0 109.435 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -45.98 -38.2 7.44 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.919 0.887 . . . . 0.0 112.733 168.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -66.43 -15.72 63.54 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.935 1.294 . . . . 0.0 114.126 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 71.5 mtt-85 -135.37 26.82 3.46 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 127.111 2.165 . . . . 0.0 111.477 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -52.91 -36.97 60.22 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.036 0.934 . . . . 0.0 112.126 -175.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.22 -34.93 66.76 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 128.438 2.695 . . . . 0.0 112.782 178.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.1 mm -65.08 -47.54 87.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.155 0.982 . . . . 0.0 110.298 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -42.26 98.5 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.606 0.762 . . . . 0.0 111.762 175.311 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 70.0 t -61.5 -47.26 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-N 119.047 0.84 . . . . 0.0 111.377 175.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.31 -35.64 80.9 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.9 tp -73.03 -35.09 66.69 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.486 -0.759 . . . . 0.0 112.407 174.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 37.7 t -59.0 -38.76 75.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 CA-C-N 119.847 1.203 . . . . 0.0 111.365 173.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -59.08 -41.61 88.45 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 175.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -75.49 -45.92 35.5 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.322 1.049 . . . . 0.0 111.08 175.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.5 mt -50.21 -44.3 53.07 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.712 -1.243 . . . . 0.0 112.326 177.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -81.17 -22.34 39.04 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -61.33 -46.64 89.42 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.618 1.167 . . . . 0.0 110.026 170.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.5 mt -64.74 -43.57 96.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 123.889 0.875 . . . . 0.0 110.113 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -61.38 -46.21 91.13 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.445 -0.784 . . . . 0.0 112.091 175.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -60.15 -45.57 92.61 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.207 1.803 . . . . 0.0 112.393 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -62.47 -52.51 63.22 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.628 1.171 . . . . 0.0 111.838 174.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -74.48 -28.24 60.93 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 118.089 -0.958 . . . . 0.0 112.299 -173.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.6 mt -56.63 -36.51 69.57 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 120.257 1.39 . . . . 0.0 112.41 167.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.95 -36.66 82.72 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.969 0.804 . . . . 0.0 111.146 175.223 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -67.4 -35.37 79.15 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.132 0.973 . . . . 0.0 111.851 173.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.8 mm -60.3 -52.0 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 119.116 0.871 . . . . 0.0 111.359 172.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -80.97 -21.31 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -171.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -76.3 -22.95 54.38 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 120.879 -1.138 . . . . 0.0 112.832 169.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 t -79.21 145.86 33.38 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 122.294 1.045 . . . . 0.0 113.308 -176.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -131.23 39.63 3.52 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.638 1.575 . . . . 0.0 109.779 162.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.0 m -136.24 105.67 6.08 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 119.956 -1.715 . . . . 0.0 111.666 -175.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.47 -36.43 78.26 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.178 1.391 . . . . 0.0 114.742 -170.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.2 p -64.01 -55.1 24.78 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 119.018 0.826 . . . . 0.0 111.544 174.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.8 mp0 -60.41 -38.37 83.81 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.692 0.678 . . . . 0.0 112.066 178.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.7 mt -56.15 -41.19 75.03 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.645 0.778 . . . . 0.0 112.694 172.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -70.83 -39.04 73.24 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.359 0.527 . . . . 0.0 112.127 176.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.7 mm -69.46 -32.98 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 119.922 1.237 . . . . 0.0 112.008 177.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.5 mt -56.19 -28.04 56.78 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.029 0.832 . . . . 0.0 113.059 175.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 42.6 mtm -60.93 -52.45 64.98 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.373 0.533 . . . . 0.0 110.738 170.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -68.15 -38.31 81.98 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.785 1.234 . . . . 0.0 112.678 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.36 -43.21 99.26 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.612 0.765 . . . . 0.0 111.671 173.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.6 p -65.43 -39.96 92.74 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.68 -0.637 . . . . 0.0 111.675 175.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -59.63 -42.42 92.69 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.462 1.505 . . . . 0.0 112.095 177.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.2 m -55.62 -49.58 72.46 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.568 0.747 . . . . 0.0 111.979 172.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -64.49 -36.92 85.75 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.462 0.574 . . . . 0.0 112.291 176.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.0 t -69.66 -47.16 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.573 0.749 . . . . 0.0 112.207 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -73.43 -30.85 63.49 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.695 -0.628 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.16 -46.49 88.25 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 120.582 -1.324 . . . . 0.0 111.175 164.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.66 -37.36 81.27 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 118.846 0.748 . . . . 0.0 112.143 178.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.1 t -57.18 -60.22 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 119.732 1.151 . . . . 0.0 110.488 171.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.0 t -66.27 -30.86 71.38 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -174.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -62.27 -29.73 70.62 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.588 -1.32 . . . . 0.0 112.45 171.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -100.65 -12.25 19.34 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.776 1.23 . . . . 0.0 114.16 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -70.36 -17.48 63.05 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 120.22 1.373 . . . . 0.0 113.867 171.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.6 mtmp? . . . . . 0 C--O 1.253 1.26 0 CA-C-O 116.835 -1.555 . . . . 0.0 114.741 -164.723 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 N--CA 1.477 0.895 0 CA-C-O 120.891 0.377 . . . . 0.0 111.98 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.415 ' CG ' ' H ' ' A' ' 3' ' ' SER . 9.2 p-10 -98.35 -62.51 1.23 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 127.117 2.167 . . . . 0.0 110.142 175.235 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.415 ' H ' ' CG ' ' A' ' 2' ' ' ASP . 20.8 m -58.74 -32.98 69.73 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 124.758 1.223 . . . . 0.0 110.688 169.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -61.09 -38.74 87.35 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.963 1.305 . . . . 0.0 113.499 175.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -87.45 -26.73 23.1 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 121.904 -0.497 . . . . 0.0 112.034 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -68.65 -43.4 76.31 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 122.852 0.461 . . . . 0.0 110.735 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -39.78 94.38 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-O 119.028 -0.51 . . . . 0.0 111.832 172.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.88 -44.04 94.25 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 119.174 -0.441 . . . . 0.0 111.502 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.6 ptt85 -66.8 -44.2 81.89 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.662 0.664 . . . . 0.0 110.927 173.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -67.74 -36.16 80.06 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.317 0.962 . . . . 0.0 112.142 -172.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -57.42 -42.59 82.64 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.667 1.187 . . . . 0.0 111.919 172.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.0 m -83.23 -35.15 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 121.48 -0.762 . . . . 0.0 112.978 -178.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -59.68 -49.65 76.93 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.583 1.083 . . . . 0.0 112.248 168.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -69.05 -25.12 64.31 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -178.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.44 ' CD2' ' HG2' ' A' ' 70' ' ' ARG . 16.8 t80 -79.47 -47.02 16.35 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 172.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.422 HG13 ' HB3' ' A' ' 42' ' ' LEU . 3.6 t -59.34 -44.27 92.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-N 119.897 1.226 . . . . 0.0 111.193 176.139 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -64.81 -28.81 69.82 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 120.326 1.421 . . . . 0.0 113.169 176.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -74.94 -49.54 19.78 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.839 1.256 . . . . 0.0 109.294 -179.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.8 mm -63.37 -37.95 80.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 124.018 0.927 . . . . 0.0 111.431 175.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.0 t -63.33 -48.83 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 121.161 -0.962 . . . . 0.0 111.692 170.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.62 -38.05 95.77 Favored Glycine 0 CA--C 1.534 1.239 0 CA-C-N 119.72 1.146 . . . . 0.0 113.279 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -69.22 -28.88 66.75 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.391 1.476 . . . . 0.0 112.443 174.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 p -60.53 -34.06 73.57 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 120.78 -1.2 . . . . 0.0 112.267 175.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -69.52 -26.93 64.76 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 172.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.72 -40.11 61.49 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.839 0.856 . . . . 0.0 112.339 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.14 -6.14 59.37 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 176.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.9 m -107.63 160.35 15.76 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -172.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.8 m -97.63 147.73 24.02 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.691 1.996 . . . . 0.0 109.494 165.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -54.43 -41.29 69.21 Favored 'General case' 0 N--CA 1.484 1.266 0 O-C-N 120.669 -1.27 . . . . 0.0 112.343 172.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -68.0 4.11 1.32 Allowed 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.012 1.725 . . . . 0.0 114.62 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -123.76 20.19 9.34 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.331 2.252 . . . . 0.0 112.829 172.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -58.95 -15.95 15.44 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 m -55.37 -31.58 61.89 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.605 -1.309 . . . . 0.0 112.113 168.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.0 mt -74.4 -52.3 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.378 1.071 . . . . 0.0 110.377 175.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.3 p -64.51 -47.03 80.42 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.823 -0.548 . . . . 0.0 111.834 -177.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.1 t -62.14 -35.31 68.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.079 0.952 . . . . 0.0 111.902 178.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.45 -49.57 53.78 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 119.539 1.063 . . . . 0.0 112.126 173.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 67.4 tp -62.37 -36.42 82.24 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.528 0.731 . . . . 0.0 112.039 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.4 t -60.81 -45.49 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.616 1.166 . . . . 0.0 111.659 173.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -66.6 -36.21 82.05 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 177.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -69.34 -48.18 62.17 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 118.743 0.701 . . . . 0.0 111.633 174.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.422 ' HB3' HG13 ' A' ' 16' ' ' VAL . 97.9 mt -61.98 -33.63 74.66 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 120.852 -1.155 . . . . 0.0 112.509 177.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -63.45 -39.51 94.67 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 118.326 -0.845 . . . . 0.0 112.959 169.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -70.62 -44.24 67.64 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.437 1.017 . . . . 0.0 110.278 -176.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.59 -46.72 95.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 123.447 0.699 . . . . 0.0 110.421 175.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -57.26 -44.86 84.28 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.748 0.819 . . . . 0.0 111.775 174.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -71.35 -44.76 64.42 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.745 1.618 . . . . 0.0 112.725 -174.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -60.19 -49.82 76.12 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.485 -0.759 . . . . 0.0 111.071 171.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -71.79 -31.76 66.92 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 118.414 -0.803 . . . . 0.0 112.229 -175.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.4 mt -52.87 -45.69 67.58 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.825 1.193 . . . . 0.0 111.548 166.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -66.01 -41.11 91.45 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.766 0.712 . . . . 0.0 111.638 178.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -67.44 -20.1 65.45 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.022 0.929 . . . . 0.0 113.366 177.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.5 mt -93.34 -47.92 13.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 126.607 1.963 . . . . 0.0 111.064 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 p -64.19 -38.26 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 O-C-N 121.193 -0.942 . . . . 0.0 111.344 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.49 -4.04 58.11 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 177.487 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.62 133.55 53.79 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.268 1.027 . . . . 0.0 112.889 -163.226 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.2 t -104.47 1.32 29.84 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.235 1.414 . . . . 0.0 113.096 -167.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.7 m -138.7 115.23 10.54 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.735 1.614 . . . . 0.0 110.338 -169.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -67.24 -35.6 79.89 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -169.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.9 p -73.99 -35.12 64.41 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.436 -0.79 . . . . 0.0 112.815 173.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.74 -27.99 68.06 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.16 -0.963 . . . . 0.0 112.963 -175.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.8 mt -51.87 -38.76 57.31 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.139 0.976 . . . . 0.0 112.704 170.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -68.63 -43.64 75.91 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 117.792 0.269 . . . . 0.0 110.897 175.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.9 mm -67.35 -34.01 66.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 O-C-N 121.137 -0.977 . . . . 0.0 111.554 -176.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.1 mt -58.35 -29.15 65.73 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.746 -0.645 . . . . 0.0 112.672 172.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.3 mtm -65.7 -43.4 89.28 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.462 1.028 . . . . 0.0 111.29 171.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -75.01 -40.76 60.45 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.377 -0.827 . . . . 0.0 112.293 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -58.29 -53.46 58.09 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.786 0.721 . . . . 0.0 111.404 172.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.9 p -62.64 -36.8 83.98 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 122.361 -0.212 . . . . 0.0 111.506 -179.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.44 ' HG2' ' CD2' ' A' ' 15' ' ' TYR . 30.9 mtp-105 -66.39 -45.23 80.73 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.433 1.093 . . . . 0.0 112.874 176.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 m -57.75 -37.66 74.01 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 118.787 -0.625 . . . . 0.0 112.386 170.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -70.65 -36.62 73.49 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.091 0.957 . . . . 0.0 113.462 174.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.4 t -63.95 -44.1 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 119.347 0.976 . . . . 0.0 110.945 171.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -67.9 -28.77 67.79 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.456 0.702 . . . . 0.0 112.692 176.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -71.48 -40.21 70.39 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.144 1.378 . . . . 0.0 112.482 169.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.31 -42.91 96.55 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.503 -0.748 . . . . 0.0 110.644 171.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.9 t -60.07 -47.55 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.711 169.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.8 t -57.35 -27.25 62.09 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.67 1.188 . . . . 0.0 113.852 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -79.96 -57.29 3.71 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.372 1.469 . . . . 0.0 112.323 171.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -77.81 -11.78 59.92 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -171.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -73.62 -15.73 61.25 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 120.877 -1.139 . . . . 0.0 113.801 172.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.2 mttt . . . . . 0 C--O 1.246 0.879 0 C-N-CA 124.563 1.145 . . . . 0.0 114.019 -167.199 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.484 1.231 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -84.29 -56.27 3.73 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 120.777 1.626 . . . . 0.0 112.846 -164.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 p -67.02 -15.82 63.97 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.181 -1.574 . . . . 0.0 112.691 166.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -76.07 -41.1 51.59 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 169.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 ptp85 -64.06 -28.2 69.62 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.525 -0.734 . . . . 0.0 111.896 166.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -63.66 -38.54 91.49 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.784 0.834 . . . . 0.0 112.152 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -67.72 -43.65 79.51 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.911 -0.493 . . . . 0.0 111.429 171.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.16 -38.14 89.61 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -178.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -67.21 -37.59 83.89 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.322 -0.862 . . . . 0.0 111.977 171.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -65.28 -39.02 92.03 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.993 0.917 . . . . 0.0 112.27 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -57.19 -47.0 82.35 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.721 1.209 . . . . 0.0 112.278 174.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.5 m -80.93 -32.32 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 O-C-N 121.141 -0.974 . . . . 0.0 113.069 -178.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.45 -51.03 69.94 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.741 1.216 . . . . 0.0 111.161 168.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -67.76 -35.73 79.23 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.24 0.473 . . . . 0.0 112.121 -177.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -66.18 -40.69 90.65 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.645 -0.659 . . . . 0.0 111.849 177.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.0 t -62.15 -51.33 73.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 O-C-N 121.183 -0.948 . . . . 0.0 111.885 174.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -64.57 -29.69 70.71 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 120.294 1.406 . . . . 0.0 113.003 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -70.81 -49.14 49.58 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.07 0.948 . . . . 0.0 110.043 178.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.8 mm -66.86 -36.92 78.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 123.902 0.881 . . . . 0.0 111.081 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.78 -49.97 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 118.915 0.779 . . . . 0.0 111.274 168.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.61 -37.91 95.47 Favored Glycine 0 CA--C 1.532 1.142 0 CA-C-N 118.758 0.708 . . . . 0.0 113.832 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -71.73 -26.9 62.67 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.564 1.146 . . . . 0.0 112.888 173.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.5 p -64.14 -35.02 79.41 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.495 1.043 . . . . 0.0 112.806 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -72.28 -33.82 67.73 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.642 -0.661 . . . . 0.0 112.466 169.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.14 -45.43 85.05 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.751 0.705 . . . . 0.0 111.85 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . 0.25 8.8 ptmm? -87.33 17.5 4.38 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 86.5 p -138.09 -162.38 1.3 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.282 1.833 . . . . 0.0 110.778 174.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.3 m -144.47 146.09 32.24 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.314 1.846 . . . . 0.0 108.781 175.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -37.14 -43.87 0.52 Allowed 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 116.204 1.928 . . . . 0.0 116.204 -174.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -30.66 62.37 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.666 1.121 . . . . 0.0 113.044 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -91.63 14.63 14.55 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.39 1.876 . . . . 0.0 114.512 175.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -56.6 -20.4 20.81 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 p -54.5 -38.96 67.09 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.978 1.263 . . . . 0.0 112.123 169.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.8 mt -75.71 -38.69 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 124.189 0.996 . . . . 0.0 110.625 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.2 p -68.7 -44.88 73.02 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.335 -0.853 . . . . 0.0 111.68 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.37 -38.64 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 125.57 1.548 . . . . 0.0 112.096 173.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.49 -44.2 79.09 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.085 -1.009 . . . . 0.0 112.445 173.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.8 tp -64.01 -41.18 97.55 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.751 0.82 . . . . 0.0 112.067 175.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.0 t -54.49 -41.49 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 126.03 1.732 . . . . 0.0 111.452 173.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -64.71 -37.86 89.02 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -71.55 -43.73 65.87 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.196 0.907 . . . . 0.0 111.582 173.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.14 -33.13 74.79 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 120.758 -1.214 . . . . 0.0 112.084 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -65.55 -39.34 91.59 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.599 0.76 . . . . 0.0 112.919 166.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -64.52 -43.5 93.86 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.408 0.549 . . . . 0.0 109.776 -178.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.3 mt -68.79 -46.54 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.682 175.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -55.43 -50.09 70.71 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 120.401 1.455 . . . . 0.0 111.695 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -69.97 -47.71 61.18 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 123.689 0.796 . . . . 0.0 111.707 -176.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.57 -39.52 80.52 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.795 176.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -81.8 -32.32 31.35 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 118.017 -0.992 . . . . 0.0 112.597 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.3 mt -54.23 -47.59 72.03 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 120.401 1.455 . . . . 0.0 110.866 168.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -58.19 -48.57 79.91 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.118 0.567 . . . . 0.0 111.655 172.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -64.86 -28.44 69.55 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.922 -1.111 . . . . 0.0 113.14 -177.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.9 mt -84.23 -45.52 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 126.635 1.974 . . . . 0.0 110.99 -178.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 p -66.16 -33.58 64.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 119.02 0.827 . . . . 0.0 112.064 177.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -82.88 -12.66 57.21 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.5 t -69.81 138.2 52.46 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.328 1.451 . . . . 0.0 113.027 -170.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.7 p -108.57 -32.33 7.42 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.9 m -87.2 114.34 23.72 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.878 1.217 . . . . 0.0 111.707 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -64.96 -36.79 85.53 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -178.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 m -72.27 0.86 8.81 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.13 -0.981 . . . . 0.0 113.628 172.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -104.61 -32.58 8.86 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.515 1.126 . . . . 0.0 112.744 164.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.6 mt -50.3 -42.36 52.45 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.582 1.083 . . . . 0.0 112.116 172.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -65.91 -28.62 69.07 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 176.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.7 mm -82.09 -31.87 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 O-C-N 121.037 -1.039 . . . . 0.0 112.467 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.88 -29.9 30.9 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.085 0.857 . . . . 0.0 111.93 171.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 41.7 mtm -61.34 -54.13 47.75 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.876 0.87 . . . . 0.0 112.52 172.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 37.9 mtm -71.78 -32.06 67.27 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.132 0.973 . . . . 0.0 112.523 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -67.07 -42.78 84.13 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.429 -0.794 . . . . 0.0 112.052 172.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.1 t -62.37 -43.71 98.18 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 118.911 -0.566 . . . . 0.0 110.922 171.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -55.39 -50.29 70.11 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-O 117.82 -1.086 . . . . 0.0 111.265 172.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 t -54.6 -41.27 69.72 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.413 1.085 . . . . 0.0 112.405 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -77.95 -31.07 50.71 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.9 t -71.96 -39.97 67.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 119.959 1.254 . . . . 0.0 110.995 172.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -67.71 -35.57 79.03 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.291 1.836 . . . . 0.0 111.15 176.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -62.3 -47.15 85.58 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 121.119 -0.988 . . . . 0.0 111.922 162.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.99 -40.78 85.9 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.833 1.197 . . . . 0.0 111.767 -178.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.4 t -56.94 -60.19 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-N 118.588 0.631 . . . . 0.0 110.22 167.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.4 m -55.39 -32.79 62.93 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.489 1.115 . . . . 0.0 113.353 -174.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -75.74 -42.99 49.08 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 129.544 3.138 . . . . 0.0 113.121 175.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -86.33 -13.18 47.32 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -178.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -72.57 -8.12 53.58 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.643 1.177 . . . . 0.0 113.992 170.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm . . . . . 0 C--O 1.251 1.15 0 C-N-CA 127.341 2.256 . . . . 0.0 113.769 -173.316 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -86.25 -25.04 25.76 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.323 1.849 . . . . 0.0 114.015 -174.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -86.09 -39.41 16.78 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.397 0.679 . . . . 0.0 110.439 166.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.56 -42.82 83.79 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.368 1.067 . . . . 0.0 113.224 176.259 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.7 ptt85 -68.1 -28.7 67.56 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 174.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.2 -45.27 49.43 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.144 0.429 . . . . 0.0 110.888 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -51.89 -47.4 64.57 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.916 0.886 . . . . 0.0 111.196 169.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.61 -43.35 89.91 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.627 1.171 . . . . 0.0 113.654 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -68.52 -37.28 79.9 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.523 1.056 . . . . 0.0 112.186 175.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -66.93 -37.43 84.3 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 118.096 -0.954 . . . . 0.0 112.311 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -52.58 -47.3 66.94 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 118.978 0.808 . . . . 0.0 112.125 170.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 m -80.1 -22.21 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -64.49 -44.5 90.79 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.827 1.194 . . . . 0.0 111.156 166.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -61.05 -43.82 98.31 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.567 0.747 . . . . 0.0 112.007 171.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -61.18 -47.49 85.93 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.443 0.565 . . . . 0.0 111.643 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.17 -50.34 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 O-C-N 121.021 -1.049 . . . . 0.0 111.762 176.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -66.59 -35.98 81.5 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 120.561 1.528 . . . . 0.0 112.4 -178.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.7 tttp -63.08 -45.64 91.15 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.498 1.119 . . . . 0.0 110.874 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.5 mm -74.43 -28.14 22.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 124.464 1.105 . . . . 0.0 112.162 -177.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.4 t -61.38 -38.79 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 O-C-N 120.942 -1.099 . . . . 0.0 110.488 163.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.62 -54.71 35.1 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.429 1.014 . . . . 0.0 113.377 167.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -57.08 -36.63 70.81 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 118.253 1.026 . . . . 0.0 112.728 176.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.7 m -65.08 -43.42 92.22 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.827 0.851 . . . . 0.0 111.553 178.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -78.1 -13.03 60.02 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 173.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.27 -36.76 46.39 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.151 0.887 . . . . 0.0 112.625 168.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -103.83 -0.88 28.64 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 -173.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.9 m -92.86 172.09 8.56 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.698 1.199 . . . . 0.0 113.736 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.0 m -138.06 148.48 45.1 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.643 1.577 . . . . 0.0 109.479 -176.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -27.53 18.5 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 116.166 1.914 . . . . 0.0 116.166 -168.584 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -65.25 -37.13 86.28 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.424 1.09 . . . . 0.0 112.42 174.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -74.97 36.73 0.11 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.954 2.102 . . . . 0.0 112.87 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -63.54 -42.55 98.39 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.816 -1.177 . . . . 0.0 111.994 -178.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.0 m -63.89 -37.8 88.73 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.196 0.598 . . . . 0.0 112.01 173.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.3 mm -69.85 -41.13 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 121.506 -0.746 . . . . 0.0 111.132 178.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -67.28 -42.12 84.35 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 117.742 -1.123 . . . . 0.0 112.076 178.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.4 p -63.52 -50.06 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 120.135 1.334 . . . . 0.0 110.827 169.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.46 -48.56 81.17 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.253 0.933 . . . . 0.0 112.267 -174.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.7 tp -66.21 -40.5 90.4 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.645 0.778 . . . . 0.0 112.167 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.5 t -66.57 -40.29 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 119.855 1.207 . . . . 0.0 111.594 177.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -41.45 97.98 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.626 0.77 . . . . 0.0 111.368 172.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -65.78 -45.67 81.61 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.129 0.972 . . . . 0.0 111.042 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.8 mt -54.69 -36.36 64.59 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.433 1.093 . . . . 0.0 112.019 172.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -76.4 -28.33 56.65 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 172.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -75.67 -42.54 50.94 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.73 1.15 . . . . 0.0 110.057 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.8 mt -56.95 -42.02 78.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 124.724 1.21 . . . . 0.0 109.753 166.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -61.26 -43.36 99.01 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 118.423 -0.799 . . . . 0.0 112.128 175.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -62.14 -49.33 76.3 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.749 1.159 . . . . 0.0 111.774 175.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -55.04 -49.01 72.65 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.131 0.972 . . . . 0.0 111.2 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.569 ' CZ ' ' HE2' ' A' ' 52' ' ' LYS . 30.7 m-85 -78.76 -31.41 46.15 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 117.737 -1.125 . . . . 0.0 112.703 -177.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.5 mt -55.98 -44.51 78.64 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.715 1.598 . . . . 0.0 111.331 165.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -63.1 -43.19 99.18 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.411 1.085 . . . . 0.0 111.814 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.569 ' HE2' ' CZ ' ' A' ' 49' ' ' TYR . 20.0 mtpp -67.77 -34.59 77.11 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.088 -1.008 . . . . 0.0 112.387 176.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.0 mt -79.99 -36.87 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 125.809 1.644 . . . . 0.0 111.847 -177.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 p -77.01 -25.68 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 119.575 1.079 . . . . 0.0 112.988 176.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -94.08 1.72 56.12 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.264 1.026 . . . . 0.0 113.236 174.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.3 m -62.99 128.6 36.63 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 120.614 -1.304 . . . . 0.0 112.725 -174.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.8 t -89.95 -32.47 16.8 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.6 m -119.43 127.99 53.61 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.37 1.068 . . . . 0.0 112.758 -169.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -61.43 -42.9 99.48 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.644 0.777 . . . . 0.0 113.01 -175.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 m -70.81 -6.3 36.82 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -177.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -99.42 -23.79 15.01 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.845 0.858 . . . . 0.0 112.482 170.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.1 mt -58.23 -41.2 83.61 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.948 1.249 . . . . 0.0 111.613 172.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -62.51 -33.26 74.54 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 175.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.0 mm -80.54 -32.61 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 O-C-N 120.95 -1.094 . . . . 0.0 112.464 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.6 mt -55.96 -24.9 41.12 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.1 0.863 . . . . 0.0 112.788 174.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 55.1 mtm -62.0 -50.43 72.09 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.765 0.826 . . . . 0.0 112.885 168.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 47.0 mtm -76.58 -30.23 56.91 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.888 1.275 . . . . 0.0 112.667 -177.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -59.24 -51.92 67.88 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.519 1.128 . . . . 0.0 112.177 164.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.5 m -58.22 -44.04 88.02 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 120.984 0.421 . . . . 0.0 110.239 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -59.14 -41.31 88.01 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.724 1.21 . . . . 0.0 112.406 175.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.4 m -63.26 -43.09 98.95 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.126 0.971 . . . . 0.0 112.499 176.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -67.76 -37.06 81.61 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 119.214 0.916 . . . . 0.0 112.603 173.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.0 t -65.18 -47.6 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.445 0.698 . . . . 0.0 111.22 175.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -56.24 -45.66 79.88 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.624 1.17 . . . . 0.0 111.416 174.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.69 -47.82 81.99 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 176.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.61 78.07 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.887 0.767 . . . . 0.0 111.649 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 99.5 t -63.01 -51.5 71.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 123.295 0.638 . . . . 0.0 110.609 178.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.08 -20.05 59.68 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -171.359 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -75.44 -33.41 60.9 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.197 0.999 . . . . 0.0 113.542 165.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -89.44 -18.68 26.29 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -87.47 -2.79 58.86 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.463 1.282 . . . . 0.0 114.463 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 116.045 1.869 . . . . 0.0 116.045 -168.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.414 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . 3.0 tt . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 119.021 -0.514 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -62.48 -31.57 72.33 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.962 1.255 . . . . 0.0 111.932 168.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 p -57.98 -30.63 66.2 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.304 -0.872 . . . . 0.0 112.914 168.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -79.49 -41.62 27.04 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 125.434 1.493 . . . . 0.0 111.851 177.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.417 ' HD2' ' HA ' ' A' ' 54' ' ' VAL . 15.4 ptt180 -67.27 -29.1 68.63 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 118.94 -0.552 . . . . 0.0 112.362 178.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -69.54 -50.86 40.91 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 118.657 0.662 . . . . 0.0 111.415 175.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.3 ptmm? -61.27 -36.99 81.55 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.159 -0.963 . . . . 0.0 111.536 173.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.62 92.09 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.214 0.915 . . . . 0.0 113.461 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -66.58 -42.81 86.4 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 119.653 1.115 . . . . 0.0 110.86 174.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -65.83 -36.75 84.37 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -59.43 -38.76 81.49 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.257 1.823 . . . . 0.0 112.578 174.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.6 m -84.76 -30.05 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 O-C-N 121.735 -0.603 . . . . 0.0 112.538 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -58.69 -51.73 68.69 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.182 0.901 . . . . 0.0 112.159 171.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -61.34 -31.45 71.32 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 118.49 0.586 . . . . 0.0 111.858 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -75.61 -48.53 21.83 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.282 0.633 . . . . 0.0 111.299 -177.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.2 t -54.3 -49.51 63.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.105 0.962 . . . . 0.0 110.435 167.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -65.36 -33.98 77.24 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.859 0.864 . . . . 0.0 113.243 -176.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -64.83 -50.08 68.07 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.5 1.12 . . . . 0.0 109.836 172.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.0 mt -72.47 -31.85 39.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 C-N-CA 124.169 0.988 . . . . 0.0 112.513 -174.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.7 t -59.88 -49.94 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 O-C-N 121.085 -1.01 . . . . 0.0 110.946 168.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.22 -37.56 93.05 Favored Glycine 0 CA--C 1.534 1.243 0 CA-C-O 119.617 -0.546 . . . . 0.0 113.533 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -68.06 -32.07 72.16 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.032 1.416 . . . . 0.0 112.474 172.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.3 m -65.13 -38.73 91.56 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.366 -0.834 . . . . 0.0 111.68 173.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -64.78 -41.95 95.47 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.538 -0.726 . . . . 0.0 112.006 169.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.63 -34.24 77.82 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.02 15.08 21.62 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 173.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 t -76.56 162.24 27.94 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.419 1.088 . . . . 0.0 112.442 174.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.38 176.13 9.59 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.59 1.556 . . . . 0.0 109.804 172.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -67.1 -36.4 81.85 Favored 'General case' 0 N--CA 1.483 1.191 0 O-C-N 120.273 -1.517 . . . . 0.0 111.635 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -72.57 -46.05 56.25 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.346 1.858 . . . . 0.0 112.44 171.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -75.56 -11.01 59.94 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -173.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -47.69 -40.88 21.24 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.457 1.903 . . . . 0.0 114.764 -174.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.7 m -57.01 -40.2 76.17 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.243 1.017 . . . . 0.0 112.46 177.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.1 mt -68.96 -46.14 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 C-N-CA 123.771 0.828 . . . . 0.0 109.455 176.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.9 m -55.92 -47.89 76.68 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.049 0.939 . . . . 0.0 111.816 -177.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.2 t -69.47 -41.13 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 121.61 -0.681 . . . . 0.0 111.28 179.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.69 -36.3 83.41 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 118.826 0.739 . . . . 0.0 112.862 177.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.0 tp -69.56 -45.17 69.35 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.322 1.449 . . . . 0.0 111.602 174.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.4 t -62.84 -39.74 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 CA-C-N 120.341 1.428 . . . . 0.0 112.145 175.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -57.88 -39.92 78.97 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.007 0.523 . . . . 0.0 111.407 172.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -73.55 -51.38 17.16 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 118.755 0.707 . . . . 0.0 112.469 177.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.472 HD22 HG13 ' A' ' 73' ' ' VAL . 64.4 mt -51.81 -50.07 61.51 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.521 1.528 . . . . 0.0 112.139 -179.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -72.63 -27.12 61.95 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.482 -0.761 . . . . 0.0 112.658 179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -65.84 -40.08 91.4 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 118.332 -0.842 . . . . 0.0 111.95 171.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.7 mt -61.67 -39.93 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 119.88 1.218 . . . . 0.0 109.69 172.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -56.76 -50.12 73.21 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 118.915 -0.564 . . . . 0.0 111.736 174.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -61.53 -47.37 85.9 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.409 1.083 . . . . 0.0 112.268 179.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -64.34 -47.53 79.02 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.482 0.713 . . . . 0.0 111.54 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -73.05 -28.8 62.54 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 118.162 -0.923 . . . . 0.0 111.97 178.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.3 mt -55.42 -42.36 74.03 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 120.522 1.51 . . . . 0.0 111.447 165.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.98 -39.76 83.23 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.684 0.675 . . . . 0.0 111.629 175.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -63.33 -38.99 93.3 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.434 1.015 . . . . 0.0 111.43 176.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.9 mt -77.89 -39.44 25.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 125.529 1.531 . . . . 0.0 111.855 -174.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.417 ' HA ' ' HD2' ' A' ' 5' ' ' ARG . 9.3 p -67.5 -38.22 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 O-C-N 120.53 -1.356 . . . . 0.0 112.327 175.268 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -86.21 6.04 31.39 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.401 1.881 . . . . 0.0 113.158 -177.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.1 m -83.84 117.21 23.15 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 120.356 -1.465 . . . . 0.0 112.09 178.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.5 t -85.8 8.6 19.38 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.3 m -141.66 112.91 7.5 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.861 1.264 . . . . 0.0 112.431 -164.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.414 ' HB3' ' HA ' ' A' ' 1' ' ' LEU . 19.4 pt-20 -71.35 -26.64 62.9 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -177.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.9 p -71.73 -21.01 61.82 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.922 1.289 . . . . 0.0 114.17 169.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -86.28 -44.34 12.21 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.866 0.866 . . . . 0.0 110.236 171.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.7 mt -49.54 -40.43 38.16 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.925 1.69 . . . . 0.0 113.631 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -62.97 -30.32 71.49 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 177.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.1 mm -77.8 -36.52 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 O-C-N 120.931 -1.105 . . . . 0.0 111.978 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.55 -27.97 52.09 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 118.665 0.666 . . . . 0.0 111.848 174.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 28.8 mtm -60.33 -55.04 38.45 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.828 0.851 . . . . 0.0 112.086 172.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 45.5 mtm -73.03 -33.47 65.75 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.777 1.231 . . . . 0.0 112.349 -175.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -62.84 -52.67 62.22 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.509 0.595 . . . . 0.0 112.169 170.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.3 t -61.48 -44.14 97.62 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.634 -0.426 . . . . 0.0 109.876 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -57.67 -44.55 85.81 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.17 0.988 . . . . 0.0 112.485 177.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.1 m -61.87 -44.81 96.05 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.352 0.661 . . . . 0.0 112.084 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -72.95 -31.92 64.9 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.404 0.891 . . . . 0.0 113.404 -177.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.472 HG13 HD22 ' A' ' 42' ' ' LEU . 97.3 t -66.66 -40.41 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.664 1.186 . . . . 0.0 110.579 173.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -72.94 -35.93 67.08 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.826 0.85 . . . . 0.0 112.506 175.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -64.94 -39.1 92.98 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.936 -1.102 . . . . 0.0 112.274 173.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.68 -40.73 93.22 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.727 0.811 . . . . 0.0 111.793 174.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.94 -51.52 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-O 118.992 -0.528 . . . . 0.0 110.298 170.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.11 -17.67 64.43 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -175.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -75.52 -55.78 5.34 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.887 1.275 . . . . 0.0 111.962 165.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -72.58 -30.61 64.54 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -174.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.67 -5.3 52.67 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -175.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt . . . . . 0 C--O 1.253 1.259 0 C-N-CA 127.408 2.283 . . . . 0.0 114.571 -164.961 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 10.7 mp . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -19.82 -61.13 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 130.147 3.379 . . . . 0.0 114.951 149.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 p -46.09 -51.45 13.85 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.44 1.896 . . . . 0.0 113.103 170.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -66.33 -38.34 87.42 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.327 1.451 . . . . 0.0 112.732 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -76.58 -12.27 59.99 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 175.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -79.48 -48.31 14.13 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.936 0.894 . . . . 0.0 110.977 169.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -62.81 -40.52 97.62 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.104 0.866 . . . . 0.0 111.135 173.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.22 -44.62 96.17 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.624 0.77 . . . . 0.0 112.855 -175.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -66.81 -31.2 71.67 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.758 -0.589 . . . . 0.0 111.598 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -44.37 71.61 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.801 1.241 . . . . 0.0 111.41 171.298 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -57.78 -47.65 81.92 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.163 0.985 . . . . 0.0 111.622 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 m -77.64 -27.45 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 121.234 -0.916 . . . . 0.0 113.464 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.16 -55.71 28.14 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.129 0.877 . . . . 0.0 110.993 164.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -69.66 -35.76 75.44 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-O 118.775 -0.631 . . . . 0.0 112.009 -175.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -64.34 -42.21 96.37 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.407 1.003 . . . . 0.0 112.047 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.466 HG11 ' HE2' ' A' ' 46' ' ' LYS . 16.3 t -62.26 -48.53 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 O-C-N 121.161 -0.962 . . . . 0.0 111.541 174.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -70.61 -32.33 69.64 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 120.144 1.338 . . . . 0.0 113.066 -178.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -62.51 -44.57 96.04 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.727 1.611 . . . . 0.0 111.143 175.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.9 mm -80.49 -32.98 13.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.793 1.237 . . . . 0.0 111.317 -176.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.7 t -56.21 -48.7 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-O 118.465 -0.778 . . . . 0.0 109.908 162.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.63 -47.62 83.32 Favored Glycine 0 CA--C 1.535 1.292 0 CA-C-N 119.461 1.028 . . . . 0.0 113.332 175.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -58.09 -37.43 74.5 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.901 -0.764 . . . . 0.0 112.436 173.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.0 p -65.09 -31.87 73.29 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.857 1.208 . . . . 0.0 113.18 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -80.21 -27.31 38.85 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.97 0.908 . . . . 0.0 111.866 173.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.46 -37.61 65.73 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.431 0.692 . . . . 0.0 112.797 172.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -77.81 -31.25 51.62 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.969 0.908 . . . . 0.0 112.807 175.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.7 m -77.09 174.97 10.07 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.481 0.713 . . . . 0.0 112.077 173.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.6 p -118.09 168.38 10.6 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 155.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -45.45 -37.87 5.6 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.096 1.359 . . . . 0.0 112.941 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -56.93 -29.33 63.02 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.589 1.155 . . . . 0.0 113.276 -177.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -100.32 25.64 7.4 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.746 1.219 . . . . 0.0 114.027 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -51.37 -30.13 17.81 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 121.351 -0.843 . . . . 0.0 113.181 170.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -14.71 63.17 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.963 1.705 . . . . 0.0 113.541 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.8 mm -102.44 -43.16 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.781 1.232 . . . . 0.0 110.985 174.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.2 p -60.73 -41.28 95.03 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.756 0.707 . . . . 0.0 111.982 177.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.0 p -56.98 -35.81 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 119.221 0.919 . . . . 0.0 113.158 176.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.3 -46.97 46.52 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.487 -0.758 . . . . 0.0 111.487 176.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.4 tp -64.14 -33.19 75.21 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.204 0.602 . . . . 0.0 112.199 176.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.8 t -60.92 -48.73 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.814 1.246 . . . . 0.0 111.108 171.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -70.43 -26.0 63.46 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -76.49 -47.72 21.94 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.667 1.121 . . . . 0.0 112.501 169.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.403 ' HB3' HG13 ' A' ' 16' ' ' VAL . 76.3 mt -61.63 -36.03 79.61 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 120.409 -1.432 . . . . 0.0 111.911 -179.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -66.84 -33.8 76.39 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.374 -0.829 . . . . 0.0 112.572 170.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -65.4 -45.09 85.36 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 120.064 1.302 . . . . 0.0 111.042 174.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.5 mt -60.06 -36.0 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.132 0.573 . . . . 0.0 111.246 172.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.466 ' HE2' HG11 ' A' ' 16' ' ' VAL . 18.2 ttmt -57.52 -55.91 28.73 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.25 -0.907 . . . . 0.0 111.58 173.482 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -64.24 -39.07 93.2 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.612 0.642 . . . . 0.0 111.467 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -53.98 -47.16 71.7 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.466 1.107 . . . . 0.0 111.169 172.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -82.73 -34.2 27.27 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.3 mt -57.49 -43.69 84.35 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.61 1.095 . . . . 0.0 110.756 171.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -64.42 -37.45 87.55 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.159 0.983 . . . . 0.0 112.596 173.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -65.92 -36.64 83.93 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 120.793 -1.192 . . . . 0.0 112.111 173.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 57.5 mt -72.26 -34.61 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.199 1.399 . . . . 0.0 112.228 -174.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -70.03 -27.85 34.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 O-C-N 121.084 -1.01 . . . . 0.0 112.954 170.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -91.31 -23.94 19.97 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -177.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.9 t -59.55 135.26 57.61 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.8 1.24 . . . . 0.0 113.16 -169.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.4 t -82.66 -19.21 38.64 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -163.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.2 m -145.92 143.4 29.52 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.108 1.363 . . . . 0.0 111.703 -173.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.35 -43.46 43.85 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.709 1.204 . . . . 0.0 113.336 164.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 99.4 p -71.42 -7.25 46.08 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -97.79 -42.52 7.55 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.659 1.184 . . . . 0.0 110.854 166.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.6 mt -54.5 -42.73 71.13 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.449 1.5 . . . . 0.0 113.579 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -61.18 -30.45 70.42 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 175.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.1 mm -82.45 -31.96 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 O-C-N 121.067 -1.02 . . . . 0.0 111.769 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -53.41 -33.9 55.68 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.424 1.011 . . . . 0.0 111.45 169.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 21.1 mtm -61.68 -48.57 80.19 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.452 0.569 . . . . 0.0 111.466 173.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.1 mmt -70.81 -35.01 72.32 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.389 1.076 . . . . 0.0 112.385 -176.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -77.32 -32.22 55.11 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.225 -0.922 . . . . 0.0 112.874 177.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.5 p -58.29 -45.9 87.07 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.652 -0.655 . . . . 0.0 111.057 163.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -60.48 -43.83 96.57 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.982 1.313 . . . . 0.0 111.013 177.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.8 t -57.08 -47.52 80.82 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.35 1.86 . . . . 0.0 113.174 172.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -77.15 -24.0 51.59 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 120.584 -1.323 . . . . 0.0 113.82 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.2 t -66.84 -43.15 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 123.816 0.846 . . . . 0.0 110.681 167.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -64.93 -37.18 86.79 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.615 0.643 . . . . 0.0 112.325 174.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -59.35 -43.73 92.76 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.387 -0.821 . . . . 0.0 111.825 169.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.15 80.96 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.571 -0.706 . . . . 0.0 112.478 177.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.0 t -59.62 -52.08 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.448 -0.783 . . . . 0.0 110.285 174.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.4 t -64.45 -32.2 73.73 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.192 0.451 . . . . 0.0 112.017 -177.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -64.15 -49.12 73.39 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.156 0.982 . . . . 0.0 112.915 170.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -87.8 -21.28 25.18 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -171.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.55 -21.29 55.87 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.632 1.105 . . . . 0.0 113.234 174.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 50.9 mttm . . . . . 0 C--O 1.251 1.179 0 CA-C-O 116.447 -1.74 . . . . 0.0 114.329 179.222 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.07 -44.13 55.26 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.243 1.417 . . . . 0.0 112.685 -172.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.2 p -69.88 -26.2 64.06 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.702 0.401 . . . . 0.0 111.234 169.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.87 -43.43 71.85 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 174.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -66.31 -29.44 69.65 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 122.106 -0.371 . . . . 0.0 110.897 171.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.59 -45.81 81.8 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.127 1.371 . . . . 0.0 112.701 172.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.0 mttm -64.9 -46.68 80.69 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.71 0.804 . . . . 0.0 110.73 173.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.03 -46.37 89.46 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.999 0.919 . . . . 0.0 111.996 -176.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -44.17 97.08 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.936 0.789 . . . . 0.0 111.605 173.022 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.3 tptt -68.93 -38.24 79.39 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -172.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -58.52 -46.54 86.53 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.254 1.422 . . . . 0.0 111.799 174.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.4 m -78.33 -31.93 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 121.687 -0.633 . . . . 0.0 112.443 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -63.44 -43.39 97.55 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 118.55 -0.738 . . . . 0.0 111.825 169.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.12 -28.69 61.46 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.718 1.145 . . . . 0.0 112.79 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -67.05 -44.65 79.64 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.161 0.891 . . . . 0.0 111.46 173.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.2 t -62.38 -46.36 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 O-C-N 120.927 -1.108 . . . . 0.0 110.759 170.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -56.23 -45.16 80.07 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.451 1.023 . . . . 0.0 112.306 177.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -59.45 -60.05 4.47 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 124.2 1.0 . . . . 0.0 108.715 175.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.573 HG21 HG21 ' A' ' 77' ' ' VAL 0.33 12.2 mt -73.52 -24.01 19.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 118.711 0.687 . . . . 0.0 112.824 -166.607 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.7 t -61.49 -49.64 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 O-C-N 120.667 -1.271 . . . . 0.0 111.651 163.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.16 -36.2 91.51 Favored Glycine 0 CA--C 1.534 1.242 0 O-C-N 121.545 -0.722 . . . . 0.0 113.464 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.9 -37.41 78.97 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.938 1.295 . . . . 0.0 111.838 175.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.0 t -59.96 -43.91 94.77 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 118.923 -0.561 . . . . 0.0 110.802 175.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -65.38 -38.83 91.18 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.551 1.069 . . . . 0.0 112.622 172.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.26 -9.97 20.79 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 174.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -129.65 27.9 5.2 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.458 1.503 . . . . 0.0 114.58 173.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.3 133.12 32.65 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 178.326 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.1 p -97.43 169.93 9.41 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.765 1.626 . . . . 0.0 112.197 -175.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -57.51 -36.11 71.13 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 120.6 -1.313 . . . . 0.0 113.74 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -6.87 43.36 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.076 1.35 . . . . 0.0 113.353 174.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -110.15 -4.27 15.88 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.089 1.755 . . . . 0.0 114.134 175.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -45.75 -40.07 9.01 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.641 1.576 . . . . 0.0 114.459 -174.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -34.43 77.72 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.005 1.322 . . . . 0.0 113.309 178.166 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.9 mt -77.64 -38.87 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.592 1.157 . . . . 0.0 109.535 173.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.2 -48.07 83.27 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.581 0.752 . . . . 0.0 111.374 177.28 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.5 p -62.54 -44.32 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 CA-C-O 118.297 -0.859 . . . . 0.0 111.211 175.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.83 94.74 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.176 0.898 . . . . 0.0 111.704 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.7 tp -63.47 -43.91 95.97 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.629 0.65 . . . . 0.0 112.336 175.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.19 -41.12 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 O-C-N 121.154 -0.966 . . . . 0.0 111.885 178.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -38.53 91.4 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.33 1.052 . . . . 0.0 111.954 175.011 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -63.23 -48.56 77.74 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.108 0.563 . . . . 0.0 110.349 172.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.9 mt -61.22 -37.91 84.72 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.081 -1.012 . . . . 0.0 112.993 178.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -64.26 -35.98 82.58 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 118.756 -0.64 . . . . 0.0 111.57 172.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -68.23 -44.08 76.51 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.648 1.113 . . . . 0.0 109.493 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.3 mt -56.87 -45.73 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 123.999 0.92 . . . . 0.0 111.182 171.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -59.31 -52.3 66.25 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.39 0.541 . . . . 0.0 111.157 177.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -60.38 -46.35 90.28 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.494 0.717 . . . . 0.0 111.252 -178.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -59.97 -52.02 67.18 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.189 0.596 . . . . 0.0 112.263 178.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.413 ' CD2' ' HB3' ' A' ' 69' ' ' SER . 25.8 m-85 -73.32 -28.87 62.31 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 118.071 -0.966 . . . . 0.0 111.436 -175.563 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 64.7 mt -59.33 -39.35 82.86 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.14 1.336 . . . . 0.0 112.218 165.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -27.71 69.43 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.533 -0.729 . . . . 0.0 112.016 173.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -80.23 -29.44 38.46 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.212 1.405 . . . . 0.0 112.63 171.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.7 mm -62.53 -50.95 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 119.483 1.038 . . . . 0.0 111.154 172.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.5 p -69.69 -40.28 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.847 -0.533 . . . . 0.0 111.94 -174.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -81.88 8.56 10.01 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 176.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.0 t -73.48 130.04 39.25 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 119.678 -1.889 . . . . 0.0 111.789 171.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.2 p -95.32 -5.1 44.27 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.422 1.489 . . . . 0.0 112.887 165.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.6 t -127.44 123.07 35.18 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.896 1.678 . . . . 0.0 111.386 -165.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -28.12 57.78 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.536 -0.728 . . . . 0.0 112.464 175.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 p -65.03 -47.03 78.85 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.845 0.858 . . . . 0.0 111.172 169.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -59.48 -42.08 91.26 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.995 1.27 . . . . 0.0 112.223 173.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.2 mt -57.22 -36.52 70.98 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -177.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -71.74 -39.05 70.33 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 118.972 -0.537 . . . . 0.0 111.948 176.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.1 mm -69.71 -34.73 62.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 119.852 1.205 . . . . 0.0 111.656 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.4 mt -57.0 -26.64 60.58 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.4 -0.813 . . . . 0.0 112.824 174.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 37.5 mtm -63.65 -48.5 76.97 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.318 0.963 . . . . 0.0 111.511 171.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -70.48 -38.87 74.47 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.549 0.74 . . . . 0.0 111.717 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -68.9 -42.29 77.07 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.561 -0.712 . . . . 0.0 112.868 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.413 ' HB3' ' CD2' ' A' ' 49' ' ' TYR . 72.8 p -67.68 -40.11 84.44 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 118.667 -0.682 . . . . 0.0 112.523 172.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -57.55 -47.44 82.03 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.199 0.999 . . . . 0.0 111.083 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.3 t -57.58 -42.82 83.86 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 124.221 1.008 . . . . 0.0 111.523 175.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -68.35 -41.77 80.2 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.653 1.181 . . . . 0.0 113.973 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.74 -49.31 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 118.975 0.807 . . . . 0.0 109.619 173.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -75.34 -11.94 60.16 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.511 0.724 . . . . 0.0 112.65 -178.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -73.78 -53.75 9.59 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.423 1.489 . . . . 0.0 110.138 167.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.87 92.01 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.111 0.565 . . . . 0.0 110.652 177.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.573 HG21 HG21 ' A' ' 19' ' ' ILE . 96.5 t -68.28 -48.02 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-O 118.139 -0.934 . . . . 0.0 111.308 -177.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.6 t -65.05 -24.66 67.53 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.889 1.222 . . . . 0.0 112.867 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -79.6 -42.8 24.17 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.802 1.241 . . . . 0.0 113.271 172.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -78.91 -34.82 44.35 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.641 0.776 . . . . 0.0 112.863 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -76.55 -1.01 25.31 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -175.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp . . . . . 0 C--O 1.247 0.964 0 C-N-CA 127.405 2.282 . . . . 0.0 111.925 -169.14 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 92.6 mt . . . . . 0 N--CA 1.483 1.192 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -50.19 -43.01 52.28 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 127.566 2.346 . . . . 0.0 114.538 -175.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.71 -39.68 76.74 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.101 1.361 . . . . 0.0 111.264 177.061 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.407 ' OE2' ' HE3' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -65.28 -47.83 75.31 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.172 1.389 . . . . 0.0 110.619 -179.644 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.507 HH11 ' HG3' ' A' ' 5' ' ' ARG . 2.2 ptt85 -63.86 -26.81 68.78 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.948 -1.095 . . . . 0.0 112.88 175.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.89 -41.16 78.65 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.995 1.318 . . . . 0.0 111.942 175.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.407 ' HE3' ' OE2' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -76.22 -36.58 58.51 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.123 -0.986 . . . . 0.0 112.746 171.914 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.24 -45.96 89.15 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.426 1.09 . . . . 0.0 112.284 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -61.47 -42.2 98.42 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.619 0.645 . . . . 0.0 111.465 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -66.23 -39.93 89.91 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 118.908 -0.568 . . . . 0.0 111.554 -176.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 -60.45 -45.56 93.25 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 175.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.4 m -71.91 -32.58 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -62.03 -47.12 86.15 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.791 1.178 . . . . 0.0 111.824 168.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -56.87 -45.35 82.56 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.471 1.032 . . . . 0.0 112.366 172.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -60.74 -46.85 88.86 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.956 0.798 . . . . 0.0 111.486 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.6 t -57.48 -53.21 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.023 0.929 . . . . 0.0 111.309 171.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -64.18 -35.16 79.88 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.888 0.875 . . . . 0.0 112.233 -175.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -70.53 -41.61 72.32 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.593 1.557 . . . . 0.0 110.699 176.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.6 mm -69.39 -32.67 54.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 124.356 1.062 . . . . 0.0 112.535 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.9 t -58.66 -42.81 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 O-C-N 120.8 -1.188 . . . . 0.0 110.578 166.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.88 -46.91 93.15 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 123.541 0.591 . . . . 0.0 113.044 173.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -56.07 -39.78 72.57 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.381 1.072 . . . . 0.0 113.055 176.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.7 t -72.05 -33.83 68.27 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 118.205 -0.902 . . . . 0.0 112.731 177.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -68.29 -34.34 75.98 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.754 1.161 . . . . 0.0 111.39 169.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.98 -1.24 1.92 Allowed 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 173.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -131.1 9.09 4.8 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 163.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.0 p -73.66 162.77 28.83 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -170.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.6 m -138.93 135.56 34.53 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.241 1.416 . . . . 0.0 110.005 -170.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -43.32 -60.05 1.86 Allowed 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 125.263 1.425 . . . . 0.0 111.481 177.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.3 tptt -74.13 15.38 0.32 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.511 1.524 . . . . 0.0 114.732 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 82.5 mmt-85 -131.49 11.62 4.9 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.84 1.656 . . . . 0.0 113.713 172.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -47.12 -38.14 11.02 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.118 1.367 . . . . 0.0 114.031 178.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -30.76 71.4 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.711 -1.243 . . . . 0.0 112.983 179.053 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.0 mt -83.75 -36.76 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 124.042 0.937 . . . . 0.0 110.982 -177.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.1 p -63.95 -41.26 97.64 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.499 1.045 . . . . 0.0 111.098 168.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.4 t -57.76 -44.72 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-O 118.654 -0.689 . . . . 0.0 111.342 170.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.0 89.48 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.735 1.152 . . . . 0.0 113.752 177.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.9 tp -68.28 -41.43 81.02 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.448 -0.783 . . . . 0.0 111.684 173.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.9 t -64.35 -34.77 71.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 O-C-N 121.083 -1.011 . . . . 0.0 111.662 174.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -60.63 -32.03 71.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.027 0.931 . . . . 0.0 112.559 174.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -82.47 -46.47 13.41 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.144 0.884 . . . . 0.0 111.748 170.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.8 mt -53.26 -44.88 68.53 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 120.674 -1.266 . . . . 0.0 113.248 -176.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -71.57 -28.86 64.13 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 175.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -69.21 -43.62 73.75 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.712 0.805 . . . . 0.0 111.045 178.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.3 mt -60.22 -43.14 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 118.749 0.704 . . . . 0.0 109.458 170.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -59.04 -48.22 82.38 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 118.915 -0.564 . . . . 0.0 112.047 178.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -60.41 -53.25 59.79 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.376 1.07 . . . . 0.0 111.747 176.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -55.84 -44.3 77.84 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.758 1.223 . . . . 0.0 111.185 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.405 ' CD2' ' HB2' ' A' ' 69' ' ' SER . 12.5 m-85 -81.17 -33.09 33.31 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-O 117.576 -1.202 . . . . 0.0 113.361 -178.291 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.4 mt -54.06 -45.04 71.59 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.695 1.589 . . . . 0.0 110.517 167.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -64.75 -43.05 94.58 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 176.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -70.58 -34.35 72.1 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 118.728 0.695 . . . . 0.0 112.036 -179.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.2 mt -71.93 -39.71 67.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.912 1.285 . . . . 0.0 111.312 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 p -73.26 -23.54 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 O-C-N 121.062 -1.024 . . . . 0.0 112.879 174.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -86.45 -2.74 58.71 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.738 1.615 . . . . 0.0 113.635 171.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 t -71.35 -30.15 65.83 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 116.49 2.033 . . . . 0.0 116.49 -159.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.1 p 48.97 -21.61 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 120.561 3.541 . . . . 0.0 120.561 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.9 t -104.86 132.11 51.52 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 121.102 1.774 . . . . 0.0 110.679 171.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -67.11 -36.25 81.52 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.791 0.836 . . . . 0.0 111.335 172.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.0 m -76.05 -14.09 60.21 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.897 0.879 . . . . 0.0 113.038 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -89.94 -41.4 11.78 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.219 0.918 . . . . 0.0 112.127 162.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.6 mt -51.73 -42.28 62.18 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.444 1.098 . . . . 0.0 113.015 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -60.63 -25.84 66.59 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 178.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.5 mm -86.07 -34.6 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 C-N-CA 124.851 1.26 . . . . 0.0 112.882 177.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.54 -29.71 26.79 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.87 1.214 . . . . 0.0 112.305 176.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 64.0 mtm -60.5 -55.08 37.79 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 171.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 35.8 mtm -68.34 -34.11 75.5 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.333 1.053 . . . . 0.0 111.843 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -66.03 -46.35 78.17 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.194 0.998 . . . . 0.0 112.977 175.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.405 ' HB2' ' CD2' ' A' ' 49' ' ' TYR . 44.5 t -65.49 -43.7 89.37 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.089 0.859 . . . . 0.0 111.19 173.26 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 -57.54 -42.27 82.61 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.112 0.965 . . . . 0.0 112.307 178.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.5 t -59.74 -54.13 49.94 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.398 1.479 . . . . 0.0 111.997 171.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -59.78 -35.6 74.98 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.55 1.068 . . . . 0.0 112.732 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.3 t -70.03 -47.2 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.296 1.039 . . . . 0.0 111.92 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.08 -45.91 91.44 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.42 0.554 . . . . 0.0 110.856 173.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -59.07 -36.39 75.0 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.355 1.062 . . . . 0.0 112.332 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.33 -46.67 69.6 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.188 0.995 . . . . 0.0 112.418 175.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.4 t -58.25 -49.55 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 119.443 1.02 . . . . 0.0 109.859 172.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.5 t -58.89 -26.89 64.71 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 127.311 2.245 . . . . 0.0 113.899 177.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -76.42 -38.72 55.15 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.662 1.585 . . . . 0.0 112.24 174.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -87.56 -33.59 18.86 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -20.13 61.73 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.039 -1.038 . . . . 0.0 113.483 176.096 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp . . . . . 0 C--O 1.246 0.9 0 C-N-CA 127.135 2.174 . . . . 0.0 110.269 171.698 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -56.4 -52.39 64.8 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -161.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 p -67.88 -22.17 65.12 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -78.66 -53.35 7.26 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.611 1.165 . . . . 0.0 110.945 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -25.58 67.03 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.684 -0.635 . . . . 0.0 112.164 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.66 -41.75 87.71 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.488 -0.758 . . . . 0.0 112.943 172.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -63.35 -41.22 98.84 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.461 -0.774 . . . . 0.0 110.433 172.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.79 -44.69 93.83 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.958 0.503 . . . . 0.0 112.332 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -69.88 -38.2 76.3 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.075 0.852 . . . . 0.0 113.013 174.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -65.63 -38.68 90.07 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.466 1.03 . . . . 0.0 112.799 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -57.82 -43.65 85.91 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.213 1.005 . . . . 0.0 112.074 174.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.6 m -83.31 -32.13 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.561 -0.712 . . . . 0.0 112.854 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -56.34 -49.31 74.72 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.948 1.299 . . . . 0.0 111.432 168.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.46 -35.35 77.44 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.419 0.554 . . . . 0.0 111.856 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.06 -46.26 81.93 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.771 0.714 . . . . 0.0 111.462 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.8 t -58.66 -53.05 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.68 0.792 . . . . 0.0 111.174 175.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -66.96 -32.59 73.93 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 120.441 1.473 . . . . 0.0 113.492 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -69.13 -43.41 74.45 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.737 1.215 . . . . 0.0 110.546 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.2 mt -78.59 -30.66 15.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 124.077 0.951 . . . . 0.0 112.43 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 37.7 t -58.08 -45.86 88.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-N 119.424 1.011 . . . . 0.0 110.501 162.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.71 -40.83 99.68 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 121.556 -0.715 . . . . 0.0 113.796 177.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -69.55 -31.91 70.4 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.374 1.087 . . . . 0.0 112.651 174.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.8 t -60.85 -47.34 86.79 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.327 -0.858 . . . . 0.0 110.989 169.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -61.48 -34.63 75.8 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.197 -0.939 . . . . 0.0 112.773 170.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.0 -29.56 69.43 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.228 -0.92 . . . . 0.0 113.432 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -97.99 -14.33 20.63 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 173.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.5 m -71.76 163.44 27.79 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.273 1.429 . . . . 0.0 113.813 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.9 p -133.26 160.21 37.95 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.504 1.922 . . . . 0.0 110.364 171.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -54.54 -41.36 69.65 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 121.302 -0.874 . . . . 0.0 113.316 -177.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -54.4 -45.48 72.93 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.695 0.68 . . . . 0.0 111.485 176.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -89.03 10.52 21.31 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.986 1.714 . . . . 0.0 115.569 -172.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 54.5 t60 -58.08 -25.76 61.7 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -176.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.1 m -55.09 -38.19 67.79 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 120.923 -1.111 . . . . 0.0 112.308 172.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.4 mm -75.46 -40.51 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.087 1.355 . . . . 0.0 110.24 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.6 m -56.75 -46.79 81.2 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.289 0.636 . . . . 0.0 110.646 173.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.4 t -69.0 -38.83 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.669 0.787 . . . . 0.0 112.174 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.27 -44.06 97.85 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.255 0.934 . . . . 0.0 111.654 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.9 tp -68.57 -39.54 80.97 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 118.607 -0.711 . . . . 0.0 111.97 175.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.1 t -57.88 -47.59 85.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 CA-C-N 120.257 1.389 . . . . 0.0 111.372 172.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -61.13 -35.73 77.83 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.443 0.697 . . . . 0.0 112.235 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -72.8 -48.3 39.26 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.742 0.701 . . . . 0.0 112.314 173.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.3 mt -58.7 -37.96 77.24 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.636 1.174 . . . . 0.0 112.449 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -65.77 -32.91 74.71 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.889 0.876 . . . . 0.0 112.906 171.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -66.45 -41.08 89.63 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.332 1.053 . . . . 0.0 110.643 176.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.1 mt -63.21 -49.78 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 O-C-N 121.984 -0.447 . . . . 0.0 110.059 172.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -54.38 -43.97 71.84 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.433 0.561 . . . . 0.0 111.074 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -63.27 -54.62 34.31 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.096 1.758 . . . . 0.0 113.946 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.4 -47.95 82.21 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.261 0.937 . . . . 0.0 110.862 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -75.22 -31.27 60.83 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 117.786 -1.102 . . . . 0.0 111.482 -173.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.1 mt -53.89 -46.72 71.47 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 120.2 1.363 . . . . 0.0 111.728 164.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -66.09 -42.26 89.54 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.923 0.783 . . . . 0.0 111.821 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -65.9 -30.55 71.16 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.037 -1.039 . . . . 0.0 111.747 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 76.7 mt -79.31 -38.84 20.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 125.435 1.494 . . . . 0.0 111.788 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.1 p -80.77 -6.56 9.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 O-C-N 120.96 -1.088 . . . . 0.0 113.407 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -118.14 1.71 11.96 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.771 1.628 . . . . 0.0 113.469 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.1 t -71.06 130.01 40.43 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 120.285 -1.51 . . . . 0.0 111.251 -176.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.96 -37.04 48.38 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.411 0.685 . . . . 0.0 111.184 165.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.5 m -95.33 117.49 30.4 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 125.178 1.391 . . . . 0.0 112.474 -171.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -71.06 -39.25 72.32 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.455 -0.778 . . . . 0.0 112.813 -177.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 95.9 p -65.36 -3.38 4.09 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 173.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -98.49 -24.97 14.93 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.359 1.063 . . . . 0.0 113.162 170.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 79.5 mt -57.78 -46.01 85.19 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.82 1.191 . . . . 0.0 110.862 174.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -62.93 -23.98 67.64 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 177.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.5 mm -87.45 -35.75 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 124.349 1.06 . . . . 0.0 113.207 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 54.8 mt -58.1 -26.11 62.19 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.436 1.016 . . . . 0.0 112.364 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 46.1 mtm -57.61 -46.55 83.93 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.161 0.984 . . . . 0.0 113.367 167.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 33.6 mtm -75.78 -42.76 49.27 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 118.304 -0.855 . . . . 0.0 111.306 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.62 -45.86 90.71 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.45 1.023 . . . . 0.0 112.195 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.3 t -65.04 -32.68 74.52 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 118.516 0.598 . . . . 0.0 112.097 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -65.83 -45.87 80.67 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.26 0.936 . . . . 0.0 111.411 173.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.7 m -59.55 -33.9 71.99 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.948 0.794 . . . . 0.0 112.161 173.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -67.37 -44.84 77.96 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 118.989 0.813 . . . . 0.0 112.121 173.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.9 t -64.56 -46.32 92.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 123.374 0.67 . . . . 0.0 110.71 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -62.56 -41.9 99.21 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.4 1.48 . . . . 0.0 111.745 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -64.56 -46.31 83.33 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 121.173 -0.955 . . . . 0.0 112.338 172.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.63 97.4 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.888 0.767 . . . . 0.0 111.878 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 68.0 t -59.23 -57.11 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 118.799 0.727 . . . . 0.0 109.941 169.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -61.05 -16.82 48.01 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -175.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.61 -46.86 9.71 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 127.554 2.342 . . . . 0.0 113.669 170.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -78.76 -6.07 54.93 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.78 -14.43 62.95 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.975 1.31 . . . . 0.0 114.021 170.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.321 0 N-CA-C 118.208 2.67 . . . . 0.0 118.208 -166.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 90.5 mt . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 118.046 -0.978 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -77.48 -36.09 53.06 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 121.746 2.066 . . . . 0.0 114.06 -163.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 p -66.34 -18.24 65.24 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.268 1.427 . . . . 0.0 114.081 169.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -98.16 -45.48 6.2 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 126.13 1.772 . . . . 0.0 109.713 -173.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -62.84 -29.89 71.08 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 124.085 0.954 . . . . 0.0 112.356 172.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -65.09 -38.52 91.01 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.729 1.15 . . . . 0.0 111.414 174.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -67.0 -44.31 80.68 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 111.466 0.173 . . . . 0.0 111.466 173.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.57 -40.31 96.63 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.435 ' HE ' ' CD2' ' A' ' 50' ' ' LEU . 6.8 ptm180 -65.7 -41.11 92.74 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.299 -0.876 . . . . 0.0 111.117 172.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -61.3 -41.4 96.92 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 118.633 -0.699 . . . . 0.0 111.645 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -57.51 -48.29 79.67 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 122.831 0.452 . . . . 0.0 112.173 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.0 m -72.07 -28.73 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 177.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -66.22 -35.73 81.19 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.051 1.296 . . . . 0.0 112.497 168.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.432 ' HA ' ' HE3' ' A' ' 17' ' ' LYS . 55.6 mt-10 -73.16 -38.47 66.21 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.15 -0.969 . . . . 0.0 112.316 175.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -66.41 -42.71 87.39 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.93 0.786 . . . . 0.0 112.004 173.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.7 t -60.27 -51.63 70.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-O 117.588 -1.196 . . . . 0.0 110.827 171.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 14' ' ' GLU . 11.2 ptpt -66.1 -33.15 75.12 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 121.463 1.938 . . . . 0.0 112.851 -177.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -60.17 -47.19 86.96 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.471 1.108 . . . . 0.0 110.259 172.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.6 mm -79.73 -31.23 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 123.601 0.76 . . . . 0.0 111.719 -173.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.7 t -61.3 -48.27 89.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.41 1.084 . . . . 0.0 109.995 165.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.85 -43.8 97.66 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 124.101 0.858 . . . . 0.0 113.008 175.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -60.51 -37.5 81.35 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.792 1.237 . . . . 0.0 113.037 172.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.5 p -57.57 -41.56 81.33 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.429 1.013 . . . . 0.0 111.816 -175.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -75.1 -38.02 61.3 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.067 0.947 . . . . 0.0 112.195 172.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.71 -29.01 69.99 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -80.69 -5.42 57.0 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 120.945 -1.097 . . . . 0.0 113.641 170.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.9 m -123.75 179.05 4.94 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.462 1.505 . . . . 0.0 112.977 -165.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.6 p -133.21 172.64 12.4 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.448 1.499 . . . . 0.0 109.953 174.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -59.54 -22.83 62.25 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 120.54 -1.35 . . . . 0.0 112.924 177.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -65.87 -22.73 66.55 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.338 1.455 . . . . 0.0 113.754 170.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -105.81 3.38 28.67 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 126.598 1.959 . . . . 0.0 114.021 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 -50.58 -38.71 46.94 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.563 1.945 . . . . 0.0 114.603 -169.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 m -74.97 -28.04 60.4 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.078 -1.014 . . . . 0.0 113.406 178.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.9 mt -70.34 -43.28 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.538 0.735 . . . . 0.0 109.36 173.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 p -61.51 -45.46 94.1 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 118.456 -0.783 . . . . 0.0 112.283 177.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.4 p -64.71 -30.68 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 CA-C-N 119.996 1.271 . . . . 0.0 112.444 177.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.94 -42.76 84.76 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 119.63 1.105 . . . . 0.0 113.091 174.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.6 tp -64.91 -37.5 87.85 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.256 -0.902 . . . . 0.0 111.571 171.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.1 t -71.11 -34.79 56.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 O-C-N 120.972 -1.08 . . . . 0.0 112.403 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -56.7 -40.85 76.35 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.758 0.823 . . . . 0.0 110.984 168.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -73.58 -42.76 61.15 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 123.345 0.658 . . . . 0.0 112.054 177.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.9 mt -59.15 -39.21 81.74 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 120.283 -1.51 . . . . 0.0 112.374 176.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -62.81 -35.71 80.77 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.581 0.752 . . . . 0.0 112.316 169.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -66.89 -43.89 82.29 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.524 0.73 . . . . 0.0 110.34 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.9 mt -60.76 -47.27 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 118.671 0.669 . . . . 0.0 110.276 171.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -53.22 -47.48 68.93 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.404 0.547 . . . . 0.0 111.581 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -77.17 -43.64 33.14 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.803 0.841 . . . . 0.0 112.493 -175.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -51.78 -45.06 63.66 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.536 0.734 . . . . 0.0 111.686 172.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -84.58 -31.04 24.54 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 117.964 -1.017 . . . . 0.0 112.804 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.435 ' CD2' ' HE ' ' A' ' 9' ' ' ARG . 7.6 mt -52.64 -47.61 66.95 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 120.866 1.666 . . . . 0.0 111.332 169.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -61.38 -41.92 97.87 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.123 0.569 . . . . 0.0 112.109 177.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -73.99 -21.21 60.08 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.069 0.948 . . . . 0.0 113.414 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.7 mt -84.98 -42.91 16.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 124.555 1.142 . . . . 0.0 110.948 175.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.8 p -68.49 -28.1 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 CA-C-N 119.92 1.236 . . . . 0.0 112.531 174.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -111.92 27.05 10.01 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 177.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.1 t -76.49 152.6 36.04 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.394 0.616 . . . . 0.0 109.871 162.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.6 t -121.54 -1.15 9.61 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.304 1.041 . . . . 0.0 113.049 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.6 m -130.05 126.58 38.0 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.792 1.637 . . . . 0.0 110.326 -176.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -70.57 -22.08 62.61 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.196 -0.94 . . . . 0.0 113.022 -172.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.2 p -60.28 -56.08 25.9 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 125.91 1.684 . . . . 0.0 111.174 166.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -62.79 -35.23 79.17 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.836 1.254 . . . . 0.0 112.445 -174.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.9 mt -51.35 -42.79 61.55 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.805 0.73 . . . . 0.0 111.996 172.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -75.41 -35.82 60.95 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.7 mm -70.4 -33.93 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 120.618 -1.301 . . . . 0.0 112.766 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.5 mt -55.68 -26.87 47.09 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.992 -1.067 . . . . 0.0 113.046 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 38.9 mtm -68.69 -21.66 64.41 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 172.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 33.9 mtm -98.68 -34.38 10.57 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 126.014 1.726 . . . . 0.0 111.884 177.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -65.86 -47.33 75.27 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.491 0.716 . . . . 0.0 112.056 172.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.1 t -60.21 -43.05 96.27 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.391 -0.818 . . . . 0.0 111.477 173.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.0 mtm180 -60.71 -39.39 88.4 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.188 -0.945 . . . . 0.0 113.234 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.6 m -55.4 -46.7 76.59 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.485 0.714 . . . . 0.0 111.418 171.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -70.95 -27.8 64.01 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.7 t -72.16 -41.2 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 120.999 -1.063 . . . . 0.0 111.084 172.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -62.58 -36.66 83.4 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.725 0.693 . . . . 0.0 111.41 171.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -62.2 -49.31 76.31 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.056 -1.027 . . . . 0.0 112.191 169.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.17 94.94 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.422 -0.799 . . . . 0.0 111.821 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.13 -54.36 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.268 0.627 . . . . 0.0 110.124 173.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.4 t -65.62 -19.23 65.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 117.94 -1.029 . . . . 0.0 113.452 -175.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -75.0 -57.43 3.91 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.722 1.609 . . . . 0.0 111.728 168.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -72.51 -22.37 61.05 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -171.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.12 -10.02 36.88 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.807 1.643 . . . . 0.0 115.133 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? . . . . . 0 C--O 1.251 1.139 0 C-N-CA 124.337 1.055 . . . . 0.0 113.151 177.655 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 N--CA 1.485 1.301 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -61.2 -30.34 70.36 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -177.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.5 p -81.94 -30.84 31.58 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.227 0.922 . . . . 0.0 112.203 170.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.3 -46.46 89.78 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.059 1.344 . . . . 0.0 111.567 174.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -24.57 60.94 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.444 0.698 . . . . 0.0 112.238 -177.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.25 -33.55 43.46 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.896 1.278 . . . . 0.0 113.92 176.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -77.13 -39.16 50.29 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.056 0.844 . . . . 0.0 111.912 169.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.31 -46.73 82.92 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.402 0.681 . . . . 0.0 112.54 175.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -65.78 -36.69 84.26 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.489 -0.757 . . . . 0.0 112.702 178.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -66.86 -41.46 87.3 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.92 0.888 . . . . 0.0 111.009 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -63.61 -45.04 92.12 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.237 0.615 . . . . 0.0 112.46 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.3 m -72.11 -29.4 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.11 -46.77 87.47 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.317 0.962 . . . . 0.0 110.647 165.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -63.79 -43.22 96.96 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 176.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -65.11 -45.38 85.39 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.836 0.743 . . . . 0.0 111.275 178.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 49.5 t -66.21 -49.32 76.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 117.85 -1.071 . . . . 0.0 111.435 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -62.59 -33.71 75.52 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.793 1.633 . . . . 0.0 112.274 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -67.58 -47.34 70.03 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.305 0.502 . . . . 0.0 110.037 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.9 mm -68.0 -31.71 53.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 C-N-CA 123.582 0.753 . . . . 0.0 111.508 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.4 t -61.77 -43.71 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.449 1.099 . . . . 0.0 111.607 168.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.6 -44.77 94.57 Favored Glycine 0 CA--C 1.534 1.269 0 CA-C-N 118.829 0.74 . . . . 0.0 112.804 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -62.74 -33.62 75.53 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.724 -0.868 . . . . 0.0 112.593 176.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.3 t -57.71 -44.12 85.7 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.67 1.188 . . . . 0.0 111.957 174.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -71.66 -40.53 69.59 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.107 -0.995 . . . . 0.0 112.292 171.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.25 -10.71 56.55 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.1 ptmm? -118.32 9.81 12.59 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.484 1.514 . . . . 0.0 114.929 176.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.0 p -126.42 -176.48 3.68 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.389 1.476 . . . . 0.0 110.741 171.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 p -129.89 165.19 22.55 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.124 -0.985 . . . . 0.0 110.937 174.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -50.22 -28.71 8.05 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.256 1.422 . . . . 0.0 113.482 174.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.3 -34.13 77.6 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.428 0.691 . . . . 0.0 112.408 177.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.8 mmm-85 -98.73 12.05 36.71 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.02 1.328 . . . . 0.0 113.518 -173.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -50.62 -33.01 20.61 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.718 1.607 . . . . 0.0 114.885 -166.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 36.1 m -60.95 -40.68 94.21 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.13 0.972 . . . . 0.0 113.058 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.6 mt -69.35 -41.95 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.708 0.803 . . . . 0.0 109.491 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m -60.23 -45.27 93.8 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.612 0.765 . . . . 0.0 111.021 175.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.2 t -64.41 -39.63 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 124.268 1.027 . . . . 0.0 112.098 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.3 87.0 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.322 0.965 . . . . 0.0 111.738 174.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.3 tp -64.48 -39.79 94.46 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.842 -0.536 . . . . 0.0 112.002 176.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.6 t -67.07 -38.22 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.156 0.983 . . . . 0.0 112.3 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -68.22 -34.84 77.0 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.599 -0.688 . . . . 0.0 111.882 173.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -73.17 -41.49 63.82 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.983 0.81 . . . . 0.0 112.202 175.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 mt -51.16 -41.37 60.11 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.185 1.394 . . . . 0.0 111.82 168.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -75.09 -23.75 58.04 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 174.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -67.55 -46.14 73.63 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 120.545 1.52 . . . . 0.0 109.624 170.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.2 mt -62.54 -42.08 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 123.065 0.546 . . . . 0.0 110.406 174.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -59.27 -49.16 78.92 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.227 0.922 . . . . 0.0 111.74 173.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.96 -49.84 67.85 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.288 1.435 . . . . 0.0 112.394 174.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -65.15 -40.93 95.04 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.937 0.895 . . . . 0.0 111.658 -176.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -85.48 -26.7 26.12 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.304 -0.855 . . . . 0.0 112.67 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 33.6 mt -58.21 -45.05 88.35 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 120.199 1.363 . . . . 0.0 110.918 163.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -59.34 -42.53 91.71 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.265 0.484 . . . . 0.0 111.504 174.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -68.29 -30.25 69.21 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.417 -0.802 . . . . 0.0 113.088 177.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.4 mt -85.37 -34.12 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 124.632 1.173 . . . . 0.0 111.572 -176.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.3 p -75.32 -41.14 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 121.099 -1.001 . . . . 0.0 111.498 169.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -97.98 25.52 5.96 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.782 1.233 . . . . 0.0 113.189 -176.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t -74.2 134.46 42.75 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 121.282 -0.886 . . . . 0.0 109.717 166.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 t -91.36 -7.26 51.38 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.788 0.835 . . . . 0.0 112.628 167.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.5 m -123.62 132.09 53.78 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.059 1.744 . . . . 0.0 111.274 -169.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -74.36 -57.7 3.77 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -172.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.5 m -68.6 -20.86 64.52 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.497 1.499 . . . . 0.0 112.56 -174.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -56.56 -34.69 67.35 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.482 1.113 . . . . 0.0 112.044 168.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.1 mt -57.89 -34.51 69.88 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.934 0.894 . . . . 0.0 111.984 174.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -75.47 -36.31 60.69 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 122.619 0.368 . . . . 0.0 111.262 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 20.0 mm -73.01 -34.75 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 O-C-N 121.1 -1.0 . . . . 0.0 112.083 177.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.1 mt -56.16 -25.98 48.61 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.959 0.904 . . . . 0.0 112.857 174.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 41.7 mtm -65.55 -43.41 89.97 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.149 0.886 . . . . 0.0 112.403 170.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 42.6 mtm -77.6 -36.15 52.12 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.139 -0.976 . . . . 0.0 112.156 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -64.95 -47.58 77.15 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 121.611 -0.681 . . . . 0.0 112.075 172.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.2 p -63.64 -37.27 86.71 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 118.851 -0.595 . . . . 0.0 112.334 176.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -56.81 -47.61 79.85 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.345 1.058 . . . . 0.0 111.819 170.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.3 t -65.25 -36.14 83.21 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.32 0.648 . . . . 0.0 112.414 177.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -69.49 -41.51 76.03 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.651 1.181 . . . . 0.0 112.087 176.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.2 -49.95 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.652 1.181 . . . . 0.0 111.139 172.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -72.82 -12.85 61.15 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -75.69 -44.44 42.2 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.12 -0.987 . . . . 0.0 112.039 165.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.49 -41.17 98.62 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.469 0.577 . . . . 0.0 110.863 175.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.7 t -58.12 -59.49 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 118.391 0.542 . . . . 0.0 110.241 169.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.1 t -50.17 -38.09 37.94 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.317 1.047 . . . . 0.0 113.534 -177.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -86.12 -38.21 18.0 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.33 1.052 . . . . 0.0 113.393 -177.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -71.72 -27.15 62.81 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 120.416 1.462 . . . . 0.0 112.701 174.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -61.19 -11.38 8.96 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.303 1.441 . . . . 0.0 114.33 173.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 92.5 mttt . . . . . 0 C--O 1.25 1.079 0 C-N-CA 126.329 1.851 . . . . 0.0 112.317 -175.316 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 113.348 0.869 . . . . 0.0 113.348 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.418 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 7.5 p-10 -45.94 -47.12 16.46 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 128.875 2.87 . . . . 0.0 114.804 171.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 p -61.48 -39.21 90.1 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.062 1.745 . . . . 0.0 111.727 173.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -71.52 -45.08 63.4 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.557 1.143 . . . . 0.0 111.841 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.418 ' HG3' ' HA ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER -68.84 -19.9 64.28 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.124 -0.985 . . . . 0.0 113.512 177.752 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -79.35 -45.01 20.43 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.165 0.586 . . . . 0.0 112.549 170.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -72.85 -37.87 67.25 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.286 -0.884 . . . . 0.0 112.514 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.56 98.62 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.915 1.286 . . . . 0.0 113.091 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.44 ' HB2' HD23 ' A' ' 50' ' ' LEU . 8.9 ptm85 -65.72 -34.81 79.05 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 118.942 -0.552 . . . . 0.0 111.29 174.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -61.69 -50.15 73.63 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 118.259 -0.876 . . . . 0.0 111.612 172.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -54.29 -44.17 71.71 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.05 0.94 . . . . 0.0 112.478 -176.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.8 m -68.98 -33.73 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 O-C-N 121.232 -0.917 . . . . 0.0 113.365 174.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -67.83 -31.62 71.59 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 120.963 -1.086 . . . . 0.0 113.139 170.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.9 -38.99 87.29 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.199 1.363 . . . . 0.0 111.413 173.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -74.57 -46.13 40.78 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.988 -0.445 . . . . 0.0 112.074 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.5 t -61.26 -43.86 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 120.939 -1.1 . . . . 0.0 111.075 176.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -65.68 -31.47 72.5 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 120.489 1.495 . . . . 0.0 113.197 178.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -64.72 -53.12 52.3 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 118.587 0.63 . . . . 0.0 109.686 175.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.5 mm -67.86 -37.45 78.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 124.086 0.955 . . . . 0.0 111.327 -175.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.8 t -61.79 -46.19 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 O-C-N 121.287 -0.883 . . . . 0.0 111.218 170.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.22 -44.55 97.55 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 118.763 0.71 . . . . 0.0 113.289 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -67.51 -36.0 80.19 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 117.776 0.788 . . . . 0.0 112.392 176.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.1 t -60.1 -48.8 80.22 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.403 1.081 . . . . 0.0 111.642 172.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.407 ' CE2' HG21 ' A' ' 39' ' ' VAL . 3.8 m-85 -62.42 -27.71 69.29 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.93 -32.96 26.93 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 176.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -86.81 -20.68 27.2 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 120.301 1.41 . . . . 0.0 113.578 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.1 t -49.06 149.28 1.99 Allowed 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 126.808 2.043 . . . . 0.0 112.287 164.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 62.0 m -154.26 152.99 30.95 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.88 1.272 . . . . 0.0 109.74 175.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -53.37 -26.1 18.02 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 116.28 1.955 . . . . 0.0 116.28 -169.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -66.02 -18.9 65.64 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.932 1.693 . . . . 0.0 113.789 173.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -130.91 19.55 5.02 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.969 1.707 . . . . 0.0 113.92 -173.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -57.18 -33.49 67.52 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -167.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.1 p -60.7 -38.01 83.6 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.539 1.136 . . . . 0.0 113.226 172.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.2 mt -69.19 -40.05 80.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 123.732 0.813 . . . . 0.0 110.038 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.6 m -59.2 -53.33 59.5 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.867 0.467 . . . . 0.0 110.912 174.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.5 p -65.58 -31.84 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 118.709 0.686 . . . . 0.0 111.99 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.94 -50.35 68.99 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.269 0.941 . . . . 0.0 112.514 172.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.0 tp -66.37 -35.58 80.7 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.959 0.8 . . . . 0.0 112.108 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.407 HG21 ' CE2' ' A' ' 24' ' ' TYR . 44.8 t -65.08 -39.13 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 121.226 -0.921 . . . . 0.0 111.806 175.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -67.27 -39.5 86.07 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 118.865 -0.588 . . . . 0.0 111.628 171.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -64.15 -42.04 96.93 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.132 0.878 . . . . 0.0 111.69 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.6 mt -57.1 -44.04 82.85 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.892 1.277 . . . . 0.0 112.374 172.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -72.49 -25.31 61.37 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 117.832 -1.08 . . . . 0.0 113.233 174.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -68.45 -48.34 64.79 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 126.618 1.967 . . . . 0.0 109.935 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.6 mt -62.36 -46.03 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.857 -0.527 . . . . 0.0 109.964 171.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -57.14 -49.22 76.59 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 118.607 0.639 . . . . 0.0 111.578 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -59.53 -49.22 78.61 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.777 2.031 . . . . 0.0 112.383 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -60.04 -50.6 73.09 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.386 1.074 . . . . 0.0 111.213 174.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -75.33 -33.18 61.11 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 120.83 -1.169 . . . . 0.0 112.414 -174.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.44 HD23 ' HB2' ' A' ' 9' ' ' ARG . 41.4 mt -53.82 -43.33 69.3 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.883 1.22 . . . . 0.0 110.745 166.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -70.07 -40.95 74.74 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.856 0.862 . . . . 0.0 112.268 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -66.26 -34.95 79.16 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 121.208 -0.932 . . . . 0.0 112.096 177.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 68.7 mt -74.36 -43.35 49.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 124.446 1.098 . . . . 0.0 111.092 -177.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.73 -33.57 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 119.688 1.131 . . . . 0.0 112.05 174.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -82.66 1.11 40.05 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 t -74.67 161.68 29.44 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 120.638 -1.289 . . . . 0.0 112.497 -174.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.6 t -109.89 -27.58 9.19 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -166.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.8 m -145.09 138.25 26.53 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.111 0.964 . . . . 0.0 112.571 -168.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -57.46 -33.72 68.26 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.247 1.819 . . . . 0.0 114.13 -177.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.9 p -59.71 -54.77 42.51 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.896 1.278 . . . . 0.0 111.985 172.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -68.82 -30.89 69.54 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.478 -0.764 . . . . 0.0 111.649 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.1 mt -59.58 -40.33 87.03 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.185 0.994 . . . . 0.0 112.568 171.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -64.88 -41.86 95.28 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 118.806 0.73 . . . . 0.0 111.666 172.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.4 mm -69.81 -34.1 59.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 O-C-N 120.597 -1.314 . . . . 0.0 112.283 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.2 mt -56.71 -27.37 58.9 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.456 0.909 . . . . 0.0 113.456 175.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 41.6 mtm -62.81 -52.51 62.88 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.512 0.596 . . . . 0.0 111.549 170.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 34.5 mtm -69.39 -36.13 76.47 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 124.129 0.971 . . . . 0.0 112.198 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -60.59 -50.78 72.17 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.033 0.833 . . . . 0.0 111.578 171.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.3 t -65.5 -36.25 83.28 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.593 -0.692 . . . . 0.0 111.57 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -67.22 -47.17 71.64 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.309 0.959 . . . . 0.0 112.507 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.0 t -55.04 -48.17 73.8 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.476 1.51 . . . . 0.0 110.876 173.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -72.5 -27.25 62.15 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.395 -0.816 . . . . 0.0 112.594 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.9 t -66.49 -46.78 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 119.372 0.987 . . . . 0.0 111.42 167.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -65.38 -31.1 72.03 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 122.963 0.505 . . . . 0.0 111.972 176.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -67.03 -39.17 86.96 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.442 1.097 . . . . 0.0 112.333 169.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.66 80.71 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 120.896 -1.128 . . . . 0.0 111.425 175.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.52 -54.55 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.264 0.625 . . . . 0.0 109.798 167.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.8 t -59.23 -39.65 83.41 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.097 0.862 . . . . 0.0 112.655 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -56.92 -32.58 66.09 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.838 1.655 . . . . 0.0 113.006 173.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -97.13 -27.66 14.47 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.532 1.133 . . . . 0.0 113.815 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -74.22 -20.66 60.11 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.408 1.083 . . . . 0.0 113.681 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.2 mttp . . . . . 0 C--O 1.247 0.966 0 C-N-CA 125.567 1.547 . . . . 0.0 113.178 178.247 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 N--CA 1.483 1.221 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.476 ' HA ' ' HG2' ' A' ' 5' ' ' ARG . 27.4 t70 -63.71 -38.12 89.91 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.955 1.302 . . . . 0.0 113.751 -174.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -74.49 -26.88 60.29 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.737 -1.227 . . . . 0.0 111.922 171.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -66.95 -43.32 83.46 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 120.375 -1.453 . . . . 0.0 111.783 172.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.476 ' HG2' ' HA ' ' A' ' 2' ' ' ASP . 6.5 ptp85 -67.67 -31.24 71.08 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 119.14 -0.457 . . . . 0.0 111.507 173.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -63.65 -48.74 76.0 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 124.13 0.972 . . . . 0.0 111.907 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -57.22 -46.27 83.07 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.75 0.82 . . . . 0.0 110.562 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.7 -47.6 77.77 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -63.94 -40.07 95.6 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.63 1.105 . . . . 0.0 111.961 179.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -63.35 -40.39 97.16 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.647 0.658 . . . . 0.0 112.537 177.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -68.16 -44.75 75.28 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 m -70.42 -31.13 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 175.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.69 -49.52 77.16 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 118.995 0.816 . . . . 0.0 110.656 168.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -60.67 -39.49 88.6 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 119.54 1.063 . . . . 0.0 112.902 174.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -63.51 -41.39 98.52 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.556 1.071 . . . . 0.0 111.911 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.6 t -68.64 -47.1 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 O-C-N 121.047 -1.033 . . . . 0.0 111.567 172.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -61.93 -31.77 72.12 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 120.397 1.453 . . . . 0.0 112.502 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -63.52 -55.95 19.93 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.941 1.296 . . . . 0.0 110.542 169.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.0 mm -72.33 -24.73 22.39 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 123.368 0.667 . . . . 0.0 112.436 -170.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.4 t -63.05 -45.59 98.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 O-C-N 120.587 -1.321 . . . . 0.0 110.926 164.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.7 -33.97 82.03 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.049 0.833 . . . . 0.0 113.8 176.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -61.26 -48.08 83.07 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 121.433 -1.039 . . . . 0.0 110.728 165.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.8 m -63.78 -34.89 78.91 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.118 -0.989 . . . . 0.0 112.955 -175.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -69.94 -39.09 76.29 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.396 -0.815 . . . . 0.0 112.765 170.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.05 -33.93 76.91 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.385 0.993 . . . . 0.0 113.183 174.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -84.53 12.92 6.13 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.933 2.093 . . . . 0.0 113.369 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.2 p -143.61 -157.12 0.75 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.281 1.032 . . . . 0.0 112.477 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -150.97 151.69 32.46 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.621 1.568 . . . . 0.0 109.253 -167.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -59.24 -39.66 83.47 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 120.102 -1.623 . . . . 0.0 112.461 174.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -58.98 -18.04 30.41 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.282 1.433 . . . . 0.0 113.447 170.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -111.87 8.93 20.59 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 127.866 2.466 . . . . 0.0 113.988 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.3 p-80 -52.3 -31.22 31.98 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -175.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.2 m -57.67 -37.74 73.93 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.601 1.091 . . . . 0.0 111.8 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.9 mm -72.93 -45.99 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 124.969 1.308 . . . . 0.0 109.547 177.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.87 -42.38 97.53 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.543 0.737 . . . . 0.0 111.622 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -61.88 -33.59 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.241 1.417 . . . . 0.0 111.502 177.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.21 -49.7 63.55 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.562 1.073 . . . . 0.0 112.061 172.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.8 tp -61.74 -36.97 82.54 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.401 0.68 . . . . 0.0 112.173 177.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.9 t -73.84 -34.34 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.35 1.06 . . . . 0.0 112.423 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -59.82 -42.44 93.52 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.352 0.524 . . . . 0.0 110.936 168.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -69.05 -44.2 73.12 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 122.661 0.384 . . . . 0.0 111.53 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.6 mt -55.86 -38.3 69.93 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 120.608 -1.308 . . . . 0.0 112.519 172.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -68.11 -36.7 80.18 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.459 -0.776 . . . . 0.0 112.814 170.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -67.38 -44.59 78.54 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.607 0.763 . . . . 0.0 109.819 -176.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 68.2 mt -61.86 -47.21 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 124.217 1.007 . . . . 0.0 110.637 173.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -55.69 -51.49 67.09 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 118.789 0.722 . . . . 0.0 111.449 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -85.35 -19.48 31.38 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -168.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -59.07 -54.62 44.95 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 157.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.403 ' CD2' ' HB3' ' A' ' 69' ' ' SER . 11.9 m-85 -68.97 -28.03 66.25 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 118.275 -0.869 . . . . 0.0 113.336 -175.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.3 mt -57.2 -36.32 70.7 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 120.137 1.335 . . . . 0.0 112.176 167.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -71.11 -46.03 62.5 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.252 0.933 . . . . 0.0 111.741 169.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.0 mtpt -61.95 -25.99 67.93 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 121.006 -1.059 . . . . 0.0 112.729 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.7 mt -92.05 -42.68 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 126.921 2.089 . . . . 0.0 111.571 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 p -65.95 -35.54 75.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.996 1.271 . . . . 0.0 111.625 174.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -85.74 7.02 25.24 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 176.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.427 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -80.97 151.43 28.49 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 122.216 1.007 . . . . 0.0 111.976 168.304 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.0 t -137.26 0.88 2.37 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.504 1.522 . . . . 0.0 112.689 -168.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 m -140.64 121.49 14.47 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.008 1.323 . . . . 0.0 111.72 -169.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -61.02 -44.38 97.5 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -172.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.9 m -71.1 -9.98 58.99 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -177.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -96.76 -40.2 9.08 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.434 1.093 . . . . 0.0 111.774 168.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.427 HD21 ' HB3' ' A' ' 56' ' ' SER . 11.4 mt -52.41 -43.25 64.68 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.141 1.376 . . . . 0.0 113.103 177.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -65.89 -22.66 66.53 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.7 mm -84.11 -31.74 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 O-C-N 120.732 -1.23 . . . . 0.0 112.755 177.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.02 -29.6 44.26 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.226 0.921 . . . . 0.0 111.821 172.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 56.4 mtm -58.01 -51.03 71.34 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.278 0.631 . . . . 0.0 112.107 170.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 30.1 mtm -70.8 -42.25 70.56 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.589 1.156 . . . . 0.0 112.706 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -58.79 -35.35 72.67 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.781 0.833 . . . . 0.0 112.201 174.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.403 ' HB3' ' CD2' ' A' ' 49' ' ' TYR . 10.5 p -72.99 -41.44 64.33 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 171.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -65.52 -36.77 84.81 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.747 1.219 . . . . 0.0 112.641 -174.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.8 t -55.85 -49.4 73.43 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.774 0.671 . . . . 0.0 111.004 168.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -66.3 -37.54 85.66 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.711 0.804 . . . . 0.0 113.013 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.85 -46.32 85.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 118.611 0.641 . . . . 0.0 111.033 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.09 -28.72 64.54 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.779 -0.629 . . . . 0.0 112.145 173.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -67.46 -37.72 83.36 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.771 1.169 . . . . 0.0 113.183 174.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.37 -44.38 92.74 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.254 0.622 . . . . 0.0 110.716 173.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 24.0 t -66.16 -41.14 88.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 121.785 -0.572 . . . . 0.0 110.888 171.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.18 -33.69 63.22 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.953 1.701 . . . . 0.0 112.545 178.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -71.26 -38.98 71.85 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.616 1.166 . . . . 0.0 112.892 173.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -83.36 -21.34 33.14 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -176.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -94.04 7.51 44.86 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -173.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 116.906 -1.521 . . . . 0.0 114.267 169.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 N--CA 1.482 1.166 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.406 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 8.7 t0 -86.88 -42.35 13.29 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 120.134 1.334 . . . . 0.0 111.74 -175.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 p -59.94 -19.63 53.01 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.152 -0.968 . . . . 0.0 113.059 165.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.79 -58.48 3.24 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.324 1.45 . . . . 0.0 112.33 168.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.556 ' HB3' HD13 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -63.05 -26.55 68.89 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.146 -0.972 . . . . 0.0 113.081 -176.432 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -67.91 -28.06 67.18 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 173.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -78.36 -44.34 25.31 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 122.604 0.362 . . . . 0.0 110.334 169.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.42 -41.95 77.22 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.281 1.032 . . . . 0.0 112.686 -177.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -66.42 -32.16 73.36 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -81.64 -36.1 29.23 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 124.776 1.23 . . . . 0.0 111.531 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -56.27 -42.96 78.29 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.264 1.026 . . . . 0.0 111.971 173.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.1 m -72.37 -27.45 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 176.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -64.99 -40.8 95.5 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.459 1.027 . . . . 0.0 111.852 165.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -71.89 -14.25 61.89 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -80.82 -59.49 2.65 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.367 -0.833 . . . . 0.0 110.708 159.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.45 HG13 ' HB3' ' A' ' 42' ' ' LEU . 11.1 t -54.16 -51.69 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 124.167 0.987 . . . . 0.0 113.09 -176.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -63.83 -34.88 78.92 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 120.464 1.484 . . . . 0.0 112.463 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -72.58 -45.55 58.6 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.392 0.677 . . . . 0.0 110.489 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.2 mm -61.92 -35.99 71.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 124.604 1.161 . . . . 0.0 111.028 176.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.441 HG22 HG22 ' A' ' 39' ' ' VAL . 35.1 t -60.96 -52.69 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.895 0.878 . . . . 0.0 111.105 168.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.31 -40.31 97.28 Favored Glycine 0 CA--C 1.537 1.414 0 CA-C-N 119.154 0.888 . . . . 0.0 113.894 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -74.96 -31.04 61.38 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.254 -1.145 . . . . 0.0 112.196 175.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 t -77.24 -6.5 53.31 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 120.462 -1.399 . . . . 0.0 114.079 170.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -85.16 -31.65 23.14 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.356 0.98 . . . . 0.0 111.803 157.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.44 -34.07 75.33 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.558 1.072 . . . . 0.0 113.494 176.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . 0.323 21.5 pttp -87.44 18.74 3.66 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 170.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.4 m -129.6 179.58 5.74 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.99 1.716 . . . . 0.0 111.668 177.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.2 m -129.22 155.53 45.4 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 126.012 1.725 . . . . 0.0 108.816 168.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -45.74 -46.17 14.92 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.036 1.334 . . . . 0.0 113.839 174.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.37 -34.76 64.57 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 120.969 -1.082 . . . . 0.0 113.61 173.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -93.64 11.0 30.42 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.735 2.014 . . . . 0.0 113.867 176.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -51.58 -32.51 28.76 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.93 1.241 . . . . 0.0 112.511 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.69 -42.59 11.81 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 127.983 2.513 . . . . 0.0 112.762 174.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.1 mt -70.04 -47.05 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.244 1.018 . . . . 0.0 110.042 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.5 m -68.18 -35.22 77.68 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.81 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 49.8 t -64.28 -43.61 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 CA-C-N 120.467 1.485 . . . . 0.0 111.044 174.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.06 85.78 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.789 -0.569 . . . . 0.0 112.486 175.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.9 tp -74.31 -35.34 63.66 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.583 0.753 . . . . 0.0 112.777 173.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.441 HG22 HG22 ' A' ' 20' ' ' VAL . 22.9 t -59.32 -43.56 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 120.474 1.488 . . . . 0.0 110.78 173.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.52 -34.75 76.05 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.172 0.589 . . . . 0.0 111.807 176.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -74.39 -46.08 42.7 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.782 0.833 . . . . 0.0 112.295 173.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.45 ' HB3' HG13 ' A' ' 16' ' ' VAL . 77.4 mt -57.76 -39.25 76.98 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.429 -1.419 . . . . 0.0 111.085 177.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -69.49 -31.79 70.27 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 117.735 -1.126 . . . . 0.0 113.775 171.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -62.79 -50.5 70.76 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.324 1.45 . . . . 0.0 110.448 174.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.1 mt -62.6 -47.45 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 118.109 0.413 . . . . 0.0 110.236 175.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -53.97 -47.12 71.7 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.769 0.827 . . . . 0.0 111.63 176.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -66.41 -47.19 74.06 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.818 1.647 . . . . 0.0 112.353 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -60.51 -42.1 95.71 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.734 -0.604 . . . . 0.0 111.266 176.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -78.11 -35.92 48.6 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 118.304 -0.855 . . . . 0.0 111.802 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.5 mt -50.77 -45.95 59.27 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.319 1.418 . . . . 0.0 111.208 166.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -71.41 -40.06 70.71 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.102 0.561 . . . . 0.0 111.799 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -60.57 -36.58 78.85 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.321 -0.862 . . . . 0.0 112.442 171.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.1 mt -81.45 -27.86 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 123.618 0.767 . . . . 0.0 112.084 -171.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.8 p -77.06 -37.54 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 O-C-N 121.062 -1.024 . . . . 0.0 112.354 165.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -95.09 -1.59 51.77 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -172.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.1 t -63.44 145.81 54.86 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 121.025 -1.047 . . . . 0.0 110.752 175.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.8 t -115.2 14.0 16.86 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.426 1.49 . . . . 0.0 111.873 175.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 m -134.89 112.84 10.99 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.684 1.594 . . . . 0.0 110.766 -174.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.481 ' HA ' HD12 ' A' ' 62' ' ' LEU . 18.6 pt-20 -71.9 -28.42 63.48 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -178.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.8 p -61.35 -55.92 26.21 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.248 1.019 . . . . 0.0 110.772 169.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -55.9 -37.01 68.31 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.548 1.139 . . . . 0.0 112.188 176.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.556 HD13 ' HB3' ' A' ' 5' ' ' ARG . 27.5 mt -56.58 -40.22 74.84 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.391 0.996 . . . . 0.0 112.959 177.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -75.93 -35.27 59.81 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.574 0.625 . . . . 0.0 112.305 176.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.4 mm -70.72 -32.78 50.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 O-C-N 120.731 -1.23 . . . . 0.0 111.989 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.9 mt -55.16 -28.43 52.79 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.143 0.977 . . . . 0.0 112.67 175.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 49.6 mtm -64.3 -47.16 80.53 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.133 0.878 . . . . 0.0 112.106 171.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 12.3 mmt -71.43 -38.74 71.34 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.814 1.246 . . . . 0.0 111.262 -178.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -61.7 -52.2 65.27 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.143 0.977 . . . . 0.0 111.448 171.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -40.18 93.99 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.652 1.115 . . . . 0.0 111.543 177.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -55.01 -51.82 65.07 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.003 0.921 . . . . 0.0 111.07 172.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.4 t -69.3 -34.4 74.64 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -65.64 -40.71 92.8 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.352 1.061 . . . . 0.0 110.833 175.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.446 HG13 ' CD2' ' A' ' 42' ' ' LEU . 17.8 t -64.36 -47.37 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.459 1.504 . . . . 0.0 111.64 172.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -61.68 -41.23 97.28 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.311 0.645 . . . . 0.0 111.421 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -65.84 -39.83 91.19 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.668 -0.645 . . . . 0.0 111.84 172.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.59 -36.53 83.03 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 119.534 1.061 . . . . 0.0 112.01 177.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.5 t -61.16 -51.4 73.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 118.653 0.661 . . . . 0.0 110.301 169.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.0 t -60.24 -35.59 75.82 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.544 0.738 . . . . 0.0 112.895 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -66.55 -15.08 63.14 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.478 1.911 . . . . 0.0 113.344 175.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -105.48 -12.79 15.85 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.617 1.967 . . . . 0.0 113.922 170.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -73.6 -19.59 60.83 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 120.058 -1.651 . . . . 0.0 114.093 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.94 0 C-N-CA 125.441 1.496 . . . . 0.0 113.504 -176.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 10.4 mp . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 119.094 -0.479 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -68.9 -38.75 79.82 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -173.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 m -62.47 -26.96 68.8 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.315 -1.491 . . . . 0.0 112.223 166.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.36 -38.05 65.84 Favored 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 124.065 0.946 . . . . 0.0 112.735 175.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.518 ' HA ' HD22 ' A' ' 62' ' ' LEU . 26.4 ptt180 -72.08 -32.2 66.8 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 118.743 -0.646 . . . . 0.0 111.42 172.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -72.02 -42.37 66.46 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 178.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -64.45 -41.43 96.55 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.925 172.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.97 -48.79 75.05 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -63.26 -38.25 90.43 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.32 -0.863 . . . . 0.0 112.156 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -66.65 -39.77 88.38 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.607 0.763 . . . . 0.0 111.982 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -63.55 -44.38 94.35 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.174 1.39 . . . . 0.0 112.609 177.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.1 m -77.84 -29.25 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 121.273 -0.892 . . . . 0.0 112.072 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -58.43 -54.12 50.62 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.925 1.29 . . . . 0.0 111.695 167.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.46 -35.63 81.07 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.41 0.55 . . . . 0.0 112.462 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -69.87 -44.0 70.7 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.53 -0.731 . . . . 0.0 112.322 176.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 t -60.52 -48.96 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 119.513 1.051 . . . . 0.0 111.464 175.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -64.74 -34.08 77.48 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 120.369 1.44 . . . . 0.0 112.478 177.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -70.46 -42.21 71.74 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.631 0.65 . . . . 0.0 110.303 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.9 mm -72.48 -29.73 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 124.609 1.163 . . . . 0.0 112.138 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.7 t -59.24 -44.16 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 119.531 1.059 . . . . 0.0 110.36 162.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.62 -43.84 97.35 Favored Glycine 0 CA--C 1.535 1.322 0 O-C-N 121.621 -0.675 . . . . 0.0 114.03 172.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -63.46 -32.52 73.99 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.63 1.215 . . . . 0.0 112.08 173.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.2 t -63.21 -47.95 80.36 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.158 -0.964 . . . . 0.0 111.091 171.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -72.51 1.14 8.63 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 171.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.4 -37.23 12.09 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.05 -1.031 . . . . 0.0 112.045 164.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.6 ptpt -95.44 -15.32 23.06 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 115.613 1.708 . . . . 0.0 115.613 -178.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.8 p -90.49 -177.42 5.05 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.792 1.178 . . . . 0.0 114.115 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.16 156.58 43.52 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.107 2.163 . . . . 0.0 109.786 -175.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -41.5 -43.3 2.61 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.799 1.64 . . . . 0.0 112.903 163.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.41 -20.56 65.65 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.583 1.153 . . . . 0.0 113.056 178.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -120.35 27.8 8.39 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.289 2.236 . . . . 0.0 112.46 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.5 t60 -52.54 -44.74 65.98 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.675 -0.64 . . . . 0.0 111.426 176.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.2 m -46.68 -51.84 15.11 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.207 1.403 . . . . 0.0 113.595 171.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.3 mm -67.71 -34.58 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 123.69 0.796 . . . . 0.0 110.301 -175.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.3 m -67.09 -44.2 80.63 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.266 1.026 . . . . 0.0 111.088 174.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 75.6 t -65.35 -40.05 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.442 1.097 . . . . 0.0 111.903 175.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.28 83.29 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.412 0.551 . . . . 0.0 111.439 175.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.0 tp -66.52 -34.41 77.85 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.802 0.728 . . . . 0.0 112.488 176.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.0 t -58.68 -48.18 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 121.077 -1.014 . . . . 0.0 111.642 170.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -68.57 -30.71 69.53 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 119.01 -0.519 . . . . 0.0 112.168 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -69.6 -47.97 61.7 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.768 0.713 . . . . 0.0 111.801 173.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.3 mt -57.93 -36.35 72.38 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 120.567 -1.333 . . . . 0.0 111.43 174.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -72.78 -27.28 61.91 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 171.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -71.59 -49.05 44.1 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.316 1.446 . . . . 0.0 109.062 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 75.6 mt -59.0 -44.65 91.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 124.64 1.176 . . . . 0.0 110.186 173.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -60.21 -53.95 51.57 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 118.259 0.481 . . . . 0.0 111.779 176.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -58.43 -44.9 89.3 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.018 0.927 . . . . 0.0 112.112 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -58.48 -52.43 65.67 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.236 1.014 . . . . 0.0 111.139 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -77.91 -28.33 49.75 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 118.097 -0.954 . . . . 0.0 113.497 -176.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.5 mt -59.58 -43.53 93.63 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 120.649 1.568 . . . . 0.0 111.066 166.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.1 -28.16 66.24 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 118.408 0.549 . . . . 0.0 112.433 178.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -70.18 -48.96 54.98 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 118.934 0.788 . . . . 0.0 110.291 170.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.8 mt -62.66 -42.07 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 125.619 1.568 . . . . 0.0 111.68 -175.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.9 -30.86 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 O-C-N 120.581 -1.325 . . . . 0.0 113.654 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -96.1 1.2 52.29 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.118 1.767 . . . . 0.0 113.134 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.483 ' HB2' HD21 ' A' ' 62' ' ' LEU . 14.3 m -71.52 105.21 3.53 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 120.607 -1.308 . . . . 0.0 112.835 -173.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.3 t -81.74 30.53 0.37 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.628 1.571 . . . . 0.0 112.953 -177.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.9 m -162.1 127.23 3.39 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.786 1.634 . . . . 0.0 112.256 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -73.03 -28.56 62.42 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.7 p -57.81 -59.65 4.91 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.467 1.507 . . . . 0.0 110.662 169.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -54.52 -41.26 69.47 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.751 1.22 . . . . 0.0 112.261 176.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.518 HD22 ' HA ' ' A' ' 5' ' ' ARG . 18.2 mt -56.49 -41.02 75.91 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 178.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -67.72 -39.91 84.3 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.116 0.416 . . . . 0.0 111.593 174.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.2 mm -68.75 -33.69 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 O-C-N 120.726 -1.234 . . . . 0.0 112.171 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.8 mt -58.8 -26.15 63.81 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.446 -0.784 . . . . 0.0 113.109 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 35.9 mtm -64.45 -49.64 70.64 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.159 0.89 . . . . 0.0 111.321 170.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 30.9 mtm -68.75 -41.07 79.43 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.479 0.712 . . . . 0.0 112.054 -179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -64.7 -46.02 84.11 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.341 0.656 . . . . 0.0 112.21 176.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.7 p -66.27 -36.83 83.99 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.272 -0.893 . . . . 0.0 112.247 175.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -58.77 -44.79 90.72 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.044 0.838 . . . . 0.0 111.496 171.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 75.7 m -60.36 -41.43 93.65 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 118.394 -0.812 . . . . 0.0 112.214 174.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -65.65 -40.4 92.44 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.736 1.153 . . . . 0.0 113.383 174.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.6 t -63.24 -44.83 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.281 0.633 . . . . 0.0 110.847 177.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -69.26 -40.46 77.83 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 122.955 0.502 . . . . 0.0 111.95 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -55.91 -42.49 76.14 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.143 1.377 . . . . 0.0 111.63 172.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.6 73.03 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.789 0.835 . . . . 0.0 111.73 176.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.9 t -56.94 -47.51 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.312 0.96 . . . . 0.0 110.745 174.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.0 t -68.1 -33.07 73.84 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -67.06 -34.99 78.89 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.83 1.252 . . . . 0.0 112.619 171.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -82.52 -29.16 30.61 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -89.4 16.99 6.64 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt . . . . . 0 C--O 1.248 0.975 0 CA-C-O 116.159 -1.877 . . . . 0.0 112.529 171.918 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -50.67 -44.01 57.54 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.482 1.913 . . . . 0.0 115.823 -178.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -74.18 -30.46 62.24 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.319 -0.863 . . . . 0.0 111.975 177.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.96 -46.09 58.69 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.878 1.271 . . . . 0.0 111.099 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -2.84 12.92 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.83 -39.71 11.61 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.616 1.566 . . . . 0.0 113.747 160.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -66.78 -43.78 83.08 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.961 1.304 . . . . 0.0 112.605 178.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.09 -40.95 97.33 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.424 0.69 . . . . 0.0 112.619 176.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.2 ptt85 -72.0 -32.21 66.98 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 120.88 -1.138 . . . . 0.0 113.099 175.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -60.57 -38.42 84.5 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.785 0.834 . . . . 0.0 111.983 174.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -61.89 -49.01 77.93 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.409 0.684 . . . . 0.0 111.862 176.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.8 m -78.88 -26.5 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -56.84 -52.57 64.57 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.34 1.056 . . . . 0.0 111.196 167.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -73.1 -26.17 61.15 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.727 0.694 . . . . 0.0 112.556 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -66.56 -53.02 39.13 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.744 0.702 . . . . 0.0 111.975 171.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.2 t -55.11 -50.93 59.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.561 1.145 . . . . 0.0 110.256 172.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -60.09 -38.83 84.1 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.203 1.001 . . . . 0.0 112.949 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -67.86 -45.43 74.59 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.577 0.626 . . . . 0.0 110.891 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.0 mm -71.0 -29.67 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 C-N-CA 123.668 0.787 . . . . 0.0 111.524 -177.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.7 t -62.42 -45.66 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.684 1.194 . . . . 0.0 111.03 166.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.37 -43.6 98.83 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 123.38 0.514 . . . . 0.0 113.173 175.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -72.17 -32.38 66.78 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.276 1.03 . . . . 0.0 113.374 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.7 t -55.43 -46.91 76.65 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.377 1.071 . . . . 0.0 111.192 172.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -68.67 -47.84 65.46 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.972 -0.455 . . . . 0.0 112.118 170.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.36 -30.8 71.87 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -172.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -80.19 -4.82 54.62 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.715 1.206 . . . . 0.0 113.948 175.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 t -130.09 -164.36 1.41 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.226 1.411 . . . . 0.0 113.323 -164.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.0 p -150.23 164.69 35.05 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.071 1.748 . . . . 0.0 113.358 -169.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -67.08 -17.66 64.98 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.574 1.149 . . . . 0.0 112.9 177.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.4 mppt? -63.53 -41.0 98.49 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.76 0.824 . . . . 0.0 111.414 168.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -96.01 18.11 14.07 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.035 1.334 . . . . 0.0 113.759 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -57.83 -36.37 72.17 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -165.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 m -58.57 -38.98 79.05 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.884 0.874 . . . . 0.0 112.398 175.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 40.1 mt -72.08 -42.27 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.23 1.012 . . . . 0.0 109.905 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.9 p -63.2 -43.34 98.44 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.72 -0.612 . . . . 0.0 112.007 173.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 43.5 t -61.75 -40.04 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 123.549 0.74 . . . . 0.0 111.544 175.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.1 -46.83 76.25 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.401 1.001 . . . . 0.0 112.334 176.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.4 tp -61.89 -39.41 91.86 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.613 -0.679 . . . . 0.0 111.894 174.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 53.3 t -69.07 -39.84 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 121.078 -1.013 . . . . 0.0 112.171 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -57.67 -41.6 81.84 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 119.127 -0.463 . . . . 0.0 111.314 170.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -71.01 -45.76 63.38 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.711 0.687 . . . . 0.0 112.323 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.3 mt -53.2 -39.77 63.95 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 120.739 -1.226 . . . . 0.0 112.08 173.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -77.35 -26.11 51.68 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 174.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -70.27 -44.59 68.13 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.221 1.008 . . . . 0.0 109.662 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 58.7 mt -57.85 -45.12 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 124.524 1.129 . . . . 0.0 109.885 169.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -61.73 -41.87 98.21 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 118.171 -0.919 . . . . 0.0 112.366 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -63.89 -43.57 95.61 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.909 1.231 . . . . 0.0 112.581 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -63.89 -51.71 63.31 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 123.402 0.439 . . . . 0.0 111.272 172.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -76.69 -24.34 53.18 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.947 -1.095 . . . . 0.0 113.069 -171.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.2 mt -58.53 -46.19 87.3 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 120.179 1.354 . . . . 0.0 110.611 162.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.82 -21.31 62.48 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.662 0.785 . . . . 0.0 112.918 178.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -79.19 -48.86 13.47 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.346 1.059 . . . . 0.0 111.886 169.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.9 mt -67.99 -39.95 82.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.647 0.779 . . . . 0.0 111.043 -174.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.9 p -60.68 -27.78 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 O-C-N 120.872 -1.142 . . . . 0.0 112.24 173.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -110.59 3.42 19.38 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.195 1.798 . . . . 0.0 113.651 -166.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.8 t -63.02 124.19 20.47 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.341 -1.474 . . . . 0.0 109.712 -177.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.9 t -74.54 -29.24 61.3 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.5 t -97.5 131.47 44.09 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.3 1.04 . . . . 0.0 111.944 174.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -77.39 -6.79 54.66 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.083 0.953 . . . . 0.0 113.288 171.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.4 t -87.1 -43.05 12.57 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.894 0.878 . . . . 0.0 110.013 166.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -61.3 -32.89 72.74 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 118.418 -0.801 . . . . 0.0 112.269 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.6 mt -48.24 -45.09 33.83 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.655 1.116 . . . . 0.0 112.899 170.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -73.56 -21.66 60.3 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.4 mm -77.41 -37.78 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 124.013 0.925 . . . . 0.0 112.653 170.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -53.76 -28.31 33.87 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.884 1.22 . . . . 0.0 112.321 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 69.8 mtm -58.28 -49.32 77.56 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.05 0.94 . . . . 0.0 113.062 170.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 33.7 mtm -71.99 -36.84 69.88 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.182 0.993 . . . . 0.0 111.398 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -62.47 -51.3 68.01 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.247 0.476 . . . . 0.0 112.125 175.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 t -68.15 -30.44 69.56 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 117.736 -1.126 . . . . 0.0 112.544 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 -58.89 -47.03 86.42 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.432 1.469 . . . . 0.0 111.617 167.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.4 m -60.31 -41.54 93.67 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.066 0.848 . . . . 0.0 112.222 174.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HA ' ' HE2' ' A' ' 72' ' ' LYS . 10.9 mmpt? -65.26 -40.11 93.53 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.323 0.965 . . . . 0.0 112.48 176.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.7 t -66.09 -45.73 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.312 1.045 . . . . 0.0 111.415 176.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -65.51 -38.2 89.0 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.991 0.916 . . . . 0.0 111.975 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -59.84 -44.96 93.81 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 124.438 1.095 . . . . 0.0 111.652 169.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.62 -46.96 87.56 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.434 1.016 . . . . 0.0 111.853 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.7 t -59.54 -47.46 90.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 O-C-N 121.597 -0.689 . . . . 0.0 110.687 174.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.0 t -62.92 -34.15 76.84 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.012 0.925 . . . . 0.0 112.661 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -70.03 -41.58 74.07 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.836 1.254 . . . . 0.0 111.906 175.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -83.63 -16.33 45.6 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 -177.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -9.69 59.05 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 172.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? . . . . . 0 C--O 1.247 0.961 0 C-N-CA 124.268 1.027 . . . . 0.0 111.965 166.977 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 118.838 -0.601 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -60.83 -47.94 84.06 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -156.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.6 p -76.37 -23.07 54.12 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 120.282 -1.511 . . . . 0.0 113.752 176.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -68.33 -39.68 81.85 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.68 0.792 . . . . 0.0 112.235 170.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.2 ptt85 -74.48 -32.07 62.43 Favored 'General case' 0 N--CA 1.463 0.203 0 O-C-N 121.505 -0.747 . . . . 0.0 111.732 173.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -66.71 -45.01 80.12 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 118.273 0.488 . . . . 0.0 111.46 177.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -66.3 -38.38 87.6 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 119.2 -0.429 . . . . 0.0 111.213 174.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.32 -38.33 90.74 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -72.13 -42.11 66.38 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.828 0.74 . . . . 0.0 112.482 169.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -69.94 -25.94 63.89 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 118.091 -0.957 . . . . 0.0 113.175 -174.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -55.88 -64.62 0.79 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.575 1.55 . . . . 0.0 110.43 162.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.0 m -70.27 -24.46 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 121.583 -0.698 . . . . 0.0 112.716 -172.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.02 -35.97 77.24 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 117.818 -1.087 . . . . 0.0 112.836 168.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -40.54 76.23 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 120.973 1.715 . . . . 0.0 109.33 169.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -63.51 -48.81 76.06 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.961 0.905 . . . . 0.0 111.39 -172.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.0 t -61.34 -52.16 64.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 123.842 0.857 . . . . 0.0 111.198 175.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -68.26 -28.21 67.01 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 120.391 1.45 . . . . 0.0 113.098 -177.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -72.23 -49.24 36.75 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.855 1.262 . . . . 0.0 110.278 175.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.9 mm -69.78 -28.95 38.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 123.79 0.836 . . . . 0.0 111.455 -177.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.9 t -56.8 -48.69 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-N 119.293 0.951 . . . . 0.0 110.788 163.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.08 -47.27 91.03 Favored Glycine 0 CA--C 1.533 1.218 0 CA-C-N 118.746 0.703 . . . . 0.0 113.601 175.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -61.74 -31.28 71.45 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.503 -0.998 . . . . 0.0 112.293 175.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.8 p -69.37 -43.75 72.92 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 121.545 -0.722 . . . . 0.0 112.121 175.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -67.6 -36.17 80.36 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.495 0.589 . . . . 0.0 111.956 173.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -26.12 66.06 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.485 0.921 . . . . 0.0 113.485 174.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 pttp -108.38 14.25 24.93 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 174.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.8 p -84.88 171.94 11.8 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.626 1.17 . . . . 0.0 113.325 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.3 p -142.31 160.15 40.83 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.673 1.189 . . . . 0.0 110.336 166.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -51.47 -38.31 53.16 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.324 1.05 . . . . 0.0 111.825 167.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -68.18 -32.46 72.73 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.912 2.485 . . . . 0.0 113.313 -178.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.4 mmm-85 -117.11 26.95 9.42 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.781 1.632 . . . . 0.0 112.443 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -57.77 -39.31 77.16 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.539 -0.726 . . . . 0.0 112.023 -176.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.4 m -48.95 -43.22 39.58 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.589 1.556 . . . . 0.0 113.638 173.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.7 mm -65.95 -40.58 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 124.176 0.991 . . . . 0.0 110.353 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.5 m -68.73 -46.16 69.64 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.035 0.934 . . . . 0.0 109.837 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.1 t -56.44 -48.77 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.239 1.016 . . . . 0.0 111.094 173.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.87 -46.05 89.7 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.108 0.867 . . . . 0.0 112.269 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.9 tp -58.69 -49.89 75.91 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.225 1.01 . . . . 0.0 111.842 174.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.03 -36.01 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 121.239 -0.913 . . . . 0.0 112.217 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -71.34 -27.34 63.3 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 176.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -83.85 -39.89 19.35 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.765 0.826 . . . . 0.0 112.397 173.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.2 mt -54.73 -42.91 72.14 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.648 -1.282 . . . . 0.0 112.39 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -74.66 -23.95 58.74 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.72 1.008 . . . . 0.0 113.72 177.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -63.23 -46.51 86.63 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.44 1.896 . . . . 0.0 110.92 173.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.6 mt -60.0 -41.49 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.68 0.792 . . . . 0.0 109.59 172.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -56.3 -45.25 80.32 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 118.355 -0.831 . . . . 0.0 111.65 177.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -62.02 -52.52 63.65 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.282 0.946 . . . . 0.0 112.003 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -58.62 -39.46 80.55 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.05 0.94 . . . . 0.0 112.044 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -87.19 -29.88 21.42 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 118.378 -0.82 . . . . 0.0 112.632 -178.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.8 mt -55.57 -42.1 74.24 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 120.426 1.466 . . . . 0.0 112.04 169.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -61.46 -49.09 78.22 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.875 0.87 . . . . 0.0 111.492 172.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -62.84 -32.81 74.1 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.185 -0.947 . . . . 0.0 111.959 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 76.2 mt -74.25 -32.7 32.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 C-N-CA 125.03 1.332 . . . . 0.0 111.746 178.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.9 p -78.72 -31.8 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 O-C-N 120.227 -1.546 . . . . 0.0 112.91 169.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -81.55 -3.27 52.76 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.41 ' HB2' HD21 ' A' ' 62' ' ' LEU . 6.2 m -74.12 132.87 42.67 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 124.352 1.061 . . . . 0.0 113.202 -174.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.9 p -96.51 -4.99 40.46 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.179 1.392 . . . . 0.0 114.229 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.1 m -137.12 135.31 37.3 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.632 1.173 . . . . 0.0 112.737 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 56.9 mp0 -53.08 -35.1 59.22 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.521 1.128 . . . . 0.0 112.599 165.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.0 t -56.67 -59.92 4.31 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.718 0.807 . . . . 0.0 112.193 176.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -64.83 -32.19 73.77 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.417 -0.802 . . . . 0.0 111.915 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.41 HD21 ' HB2' ' A' ' 56' ' ' SER . 39.8 mt -56.59 -43.39 80.02 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.036 0.834 . . . . 0.0 112.616 175.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -66.08 -41.95 90.03 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.366 0.53 . . . . 0.0 111.419 175.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.5 mm -69.15 -32.29 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 O-C-N 120.696 -1.253 . . . . 0.0 112.251 -177.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.2 mt -59.02 -28.66 66.61 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.103 0.865 . . . . 0.0 113.123 173.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 32.0 mtm -62.61 -54.23 42.72 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 118.856 0.753 . . . . 0.0 110.546 168.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 31.5 mtm -66.11 -34.51 78.21 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.127 0.971 . . . . 0.0 112.768 -176.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -68.28 -47.36 67.87 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.774 1.229 . . . . 0.0 112.232 172.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.8 t -61.12 -43.8 98.33 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.683 -0.636 . . . . 0.0 110.913 175.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.2 mtp85 -60.87 -44.74 96.63 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.728 1.611 . . . . 0.0 112.456 175.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.9 m -57.76 -40.69 80.35 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.902 0.881 . . . . 0.0 111.608 175.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -76.81 -26.63 54.63 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 177.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.1 t -67.96 -49.56 67.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 123.989 0.915 . . . . 0.0 110.944 168.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -63.52 -36.5 83.98 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.023 0.929 . . . . 0.0 111.975 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -63.2 -50.25 71.02 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 118.352 -0.832 . . . . 0.0 111.008 168.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.65 -47.01 80.71 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 120.075 1.307 . . . . 0.0 111.346 -177.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.7 t -53.27 -58.18 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.22 0.608 . . . . 0.0 110.171 172.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.5 m -65.72 -30.79 71.51 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.934 1.294 . . . . 0.0 113.348 -171.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -73.87 -32.07 63.45 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 128.48 2.712 . . . . 0.0 112.546 174.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -84.95 -7.06 59.31 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 169.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -71.74 -6.61 42.58 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 119.865 -1.772 . . . . 0.0 114.618 172.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.031 0 C-N-CA 125.451 1.5 . . . . 0.0 114.352 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.663 0.268 . . . . 0.0 111.49 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.63 -47.74 84.89 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.341 1.856 . . . . 0.0 110.908 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 p -66.18 -17.93 65.03 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 126.603 1.961 . . . . 0.0 114.319 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -89.58 -46.64 8.52 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 124.101 0.96 . . . . 0.0 111.462 174.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -69.51 -26.24 64.44 Favored 'General case' 0 C--N 1.332 -0.169 0 O-C-N 121.713 -0.617 . . . . 0.0 112.593 -178.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -60.58 -39.51 88.3 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.827 0.739 . . . . 0.0 112.164 171.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -66.01 -42.22 89.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 122.489 0.316 . . . . 0.0 110.858 175.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.75 92.65 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -65.7 -35.19 80.06 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 121.047 -1.033 . . . . 0.0 112.196 173.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -62.42 -46.4 88.72 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.978 0.808 . . . . 0.0 110.905 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -57.33 -46.53 83.18 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.923 0.783 . . . . 0.0 112.631 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.6 m -73.54 -30.06 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -62.0 -47.67 83.74 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.925 0.89 . . . . 0.0 111.601 169.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -61.46 -48.07 82.8 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.329 1.051 . . . . 0.0 112.473 175.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -64.6 -42.8 95.34 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.542 0.61 . . . . 0.0 111.666 -176.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.7 t -63.47 -50.82 76.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 O-C-N 121.552 -0.718 . . . . 0.0 110.942 174.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -72.8 -25.61 61.21 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.78 1.173 . . . . 0.0 114.009 -174.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -60.35 -46.77 88.74 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.552 1.141 . . . . 0.0 109.582 168.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.6 mt -80.01 -26.36 12.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 124.009 0.924 . . . . 0.0 111.763 -172.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.4 t -58.45 -49.68 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 CA-C-N 119.343 0.974 . . . . 0.0 111.188 161.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.15 -42.34 99.47 Favored Glycine 0 CA--C 1.535 1.282 0 O-C-N 121.464 -0.772 . . . . 0.0 113.413 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -74.25 -19.35 60.54 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 176.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.9 t -66.82 -51.57 54.09 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.383 1.073 . . . . 0.0 110.677 169.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -59.71 -24.54 64.06 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 171.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.49 -13.97 59.79 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -116.1 -28.94 6.44 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.4 p -77.14 -179.55 5.67 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.669 1.122 . . . . 0.0 112.412 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 t -132.47 153.43 50.89 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.281 1.432 . . . . 0.0 109.487 167.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -62.89 -17.86 62.22 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 173.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -12.73 61.34 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 168.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -129.26 31.96 4.77 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 127.11 2.164 . . . . 0.0 111.158 170.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -47.43 -38.75 14.04 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.175 1.39 . . . . 0.0 112.299 -172.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -39.71 -42.43 1.24 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 129.521 3.128 . . . . 0.0 114.487 173.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 50.2 mm -68.97 -48.19 71.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.139 0.976 . . . . 0.0 110.226 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -49.01 77.89 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.203 1.001 . . . . 0.0 111.594 175.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.8 p -72.06 -35.4 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 118.745 -0.645 . . . . 0.0 112.28 -175.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.48 93.18 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.579 1.081 . . . . 0.0 111.746 173.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 tp -64.59 -40.76 96.11 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.309 0.644 . . . . 0.0 111.936 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 50.5 t -63.95 -40.62 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 O-C-N 120.922 -1.111 . . . . 0.0 111.871 173.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -62.76 -32.61 73.79 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.366 1.066 . . . . 0.0 112.357 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -85.84 -39.98 16.48 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.164 0.893 . . . . 0.0 113.023 171.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -51.07 -43.19 60.97 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.403 -1.435 . . . . 0.0 112.587 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -77.62 -23.81 49.72 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 176.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -68.51 -49.42 59.76 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.812 1.245 . . . . 0.0 110.16 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.2 mt -54.85 -46.79 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 124.112 0.965 . . . . 0.0 109.506 172.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -62.78 -43.65 98.25 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 118.667 -0.683 . . . . 0.0 112.203 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.75 -44.69 82.0 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.092 0.957 . . . . 0.0 112.204 175.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -71.49 -48.54 48.47 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.544 0.738 . . . . 0.0 110.968 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.455 ' CD2' ' HB2' ' A' ' 69' ' ' SER . 6.4 m-85 -68.38 -35.76 78.16 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-O 117.421 -1.276 . . . . 0.0 112.164 -177.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.6 mt -55.4 -44.98 76.66 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.402 1.455 . . . . 0.0 112.107 170.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -61.63 -37.48 84.14 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.134 0.425 . . . . 0.0 111.208 174.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -74.94 -14.47 60.64 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.368 1.067 . . . . 0.0 113.211 175.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.5 mm -75.74 -54.56 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-N 120.388 1.449 . . . . 0.0 109.999 168.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.7 p -66.95 -25.49 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 O-C-N 121.477 -0.765 . . . . 0.0 112.071 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -110.13 25.12 12.14 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.532 1.533 . . . . 0.0 113.076 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -67.76 150.59 48.46 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.39 -0.819 . . . . 0.0 112.038 169.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.3 p -117.14 -10.35 10.86 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -168.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.5 m -145.01 151.24 38.26 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.234 1.414 . . . . 0.0 110.65 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -71.68 -33.68 69.03 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.258 -0.901 . . . . 0.0 112.402 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.9 p -67.82 -40.75 83.76 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.638 1.175 . . . . 0.0 111.919 170.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -59.33 -37.5 77.96 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.038 0.935 . . . . 0.0 111.828 177.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.9 mt -57.68 -35.77 71.03 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 173.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -66.62 -47.64 71.99 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.915 0.78 . . . . 0.0 111.163 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.6 mm -71.75 -31.17 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 120.831 -1.168 . . . . 0.0 111.875 -171.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -48.34 -34.86 11.33 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.634 1.174 . . . . 0.0 113.065 168.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 31.3 mtm -68.63 -49.63 57.65 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.321 0.648 . . . . 0.0 112.255 176.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -68.37 -37.03 80.04 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.634 0.773 . . . . 0.0 111.722 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -67.26 -42.89 83.15 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.095 -1.003 . . . . 0.0 111.793 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.455 ' HB2' ' CD2' ' A' ' 49' ' ' TYR . 2.6 t -63.46 -39.7 95.16 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.273 0.942 . . . . 0.0 112.673 170.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -58.17 -45.75 86.94 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.984 1.265 . . . . 0.0 111.336 174.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.9 t -66.75 -34.7 78.42 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 175.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -62.74 -40.36 96.99 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 120.866 -1.146 . . . . 0.0 112.035 169.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.2 t -70.89 -37.1 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 118.542 0.61 . . . . 0.0 111.167 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -59.62 -41.05 89.56 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.83 0.741 . . . . 0.0 112.238 170.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -62.84 -43.21 99.41 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.381 0.991 . . . . 0.0 111.299 172.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.29 -45.43 94.51 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.507 -0.745 . . . . 0.0 111.856 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 72.3 t -61.57 -52.46 60.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.359 -0.838 . . . . 0.0 110.694 174.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.3 p -60.93 -41.43 96.21 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 121.717 -0.614 . . . . 0.0 111.902 -175.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -77.59 -3.99 43.58 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.817 2.047 . . . . 0.0 115.047 178.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -118.91 -9.21 10.14 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 168.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.99 -23.0 66.49 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 120.866 -1.146 . . . . 0.0 113.225 172.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.147 0 C-N-CA 126.981 2.112 . . . . 0.0 111.665 170.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.95 -60.61 2.91 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 127.146 2.179 . . . . 0.0 114.914 -178.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -60.58 -31.52 70.66 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.488 1.04 . . . . 0.0 112.759 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -68.33 -49.66 58.75 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.883 1.673 . . . . 0.0 111.847 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.3 ptt85 -68.1 -22.27 64.92 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -71.74 -53.22 14.15 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.086 0.554 . . . . 0.0 111.401 170.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -62.57 -36.29 82.22 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 120.893 -1.129 . . . . 0.0 112.608 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.69 80.67 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.287 1.035 . . . . 0.0 112.717 172.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.9 ptt85 -69.32 -34.53 74.81 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.272 -0.893 . . . . 0.0 112.44 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -67.9 -38.86 83.53 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.133 -0.937 . . . . 0.0 112.034 177.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -57.08 -43.16 81.87 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.157 0.89 . . . . 0.0 112.131 176.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.6 m -74.91 -25.63 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -66.61 -44.56 81.79 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.569 1.077 . . . . 0.0 111.984 165.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -57.73 -47.89 81.14 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.691 1.132 . . . . 0.0 112.741 174.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -65.49 -42.17 92.48 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.266 0.484 . . . . 0.0 111.766 -178.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.3 t -57.04 -45.47 83.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 O-C-N 121.383 -0.823 . . . . 0.0 111.095 169.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -65.16 -37.1 86.31 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 120.506 1.503 . . . . 0.0 113.412 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -61.77 -51.66 67.42 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.198 0.599 . . . . 0.0 110.53 172.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.6 mm -69.9 -32.07 50.38 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 124.763 1.225 . . . . 0.0 111.452 -174.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.1 t -59.42 -45.05 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.886 1.275 . . . . 0.0 110.816 167.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.9 -44.19 97.79 Favored Glycine 0 CA--C 1.532 1.131 0 CA-C-N 118.739 0.7 . . . . 0.0 113.089 174.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -67.58 -30.43 70.05 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.447 -1.031 . . . . 0.0 112.436 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.9 t -65.42 -30.15 70.92 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.513 1.525 . . . . 0.0 113.038 171.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.469 ' CD1' HG21 ' A' ' 35' ' ' THR . 52.7 m-85 -75.95 -41.52 51.34 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.286 -0.884 . . . . 0.0 112.094 166.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.93 -35.07 79.46 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -175.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.14 -22.24 39.18 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 178.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.6 p -88.97 -159.08 0.54 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.786 1.234 . . . . 0.0 111.889 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.5 m -154.24 152.14 29.97 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.716 2.006 . . . . 0.0 107.28 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -52.57 -42.66 64.67 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 120.49 1.495 . . . . 0.0 113.101 -174.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -60.74 -20.07 60.44 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 175.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -107.58 17.36 22.77 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.426 1.89 . . . . 0.0 112.854 176.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -52.08 -36.22 50.08 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -172.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.7 m -56.54 -31.15 63.87 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.146 0.884 . . . . 0.0 112.961 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.9 mm -66.11 -49.22 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 119.18 0.9 . . . . 0.0 110.705 175.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.469 HG21 ' CD1' ' A' ' 24' ' ' TYR . 88.8 m -61.01 -49.04 79.02 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 123.339 0.656 . . . . 0.0 110.454 175.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.91 -36.03 69.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 123.879 0.872 . . . . 0.0 111.48 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.65 -47.39 66.66 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.251 0.932 . . . . 0.0 112.877 173.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.6 tp -64.2 -38.69 91.94 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.326 -0.859 . . . . 0.0 111.889 175.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.5 t -62.84 -39.55 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.239 1.416 . . . . 0.0 111.312 174.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -62.06 -42.67 99.43 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.135 0.425 . . . . 0.0 111.843 172.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -65.67 -47.3 75.96 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.403 0.547 . . . . 0.0 110.947 177.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.1 mt -54.08 -44.34 71.1 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.654 1.181 . . . . 0.0 112.281 175.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -67.8 -27.01 66.37 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 174.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -81.51 -36.67 28.94 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.948 1.249 . . . . 0.0 111.468 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 52.6 mt -61.05 -46.75 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 166.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -52.14 -50.08 62.43 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.162 0.585 . . . . 0.0 110.902 173.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.12 -52.01 67.55 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.185 1.394 . . . . 0.0 113.846 177.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -66.27 -36.56 83.3 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.228 0.467 . . . . 0.0 110.894 -177.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -78.58 -32.54 47.73 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 118.28 -0.867 . . . . 0.0 112.812 176.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.3 mt -53.92 -45.13 71.08 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.299 1.408 . . . . 0.0 110.924 166.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -63.82 -49.95 70.84 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.25 0.62 . . . . 0.0 111.768 173.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -67.45 -26.66 66.51 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.364 0.983 . . . . 0.0 112.824 -174.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.5 mt -82.08 -44.39 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 125.266 1.426 . . . . 0.0 110.765 176.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.2 t -70.4 -28.54 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 O-C-N 120.914 -1.116 . . . . 0.0 112.294 177.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -79.83 -7.92 58.98 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.098 -1.001 . . . . 0.0 113.514 173.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.418 ' HB3' HD21 ' A' ' 62' ' ' LEU . 2.5 t -81.9 175.28 10.53 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 120.93 -1.106 . . . . 0.0 113.27 -178.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -142.73 -38.89 0.35 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.79 1.636 . . . . 0.0 112.401 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.2 m -76.95 119.54 20.83 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.99 0.916 . . . . 0.0 112.189 -172.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -71.72 31.73 0.05 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.59 1.556 . . . . 0.0 113.564 174.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 t -127.32 -56.94 1.31 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.794 2.038 . . . . 0.0 108.396 171.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -64.71 -33.24 75.48 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.49 -1.381 . . . . 0.0 112.907 173.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.418 HD21 ' HB3' ' A' ' 56' ' ' SER . 19.3 mt -53.33 -34.85 59.11 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.61 0.764 . . . . 0.0 112.092 169.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -78.26 -44.68 24.84 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.242 0.617 . . . . 0.0 110.515 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.0 mm -66.82 -31.04 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 120.964 -1.085 . . . . 0.0 112.157 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.0 mt -54.68 -28.34 46.87 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 173.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 50.1 mtm -65.83 -49.12 69.33 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.15 0.886 . . . . 0.0 111.885 170.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -69.77 -32.48 71.0 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.521 1.129 . . . . 0.0 112.502 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -65.87 -45.54 81.7 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.762 0.825 . . . . 0.0 111.546 169.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.6 m -61.68 -43.31 99.1 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.139 0.427 . . . . 0.0 111.173 176.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -53.59 -52.23 60.48 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.872 1.669 . . . . 0.0 111.617 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.5 t -65.52 -38.3 89.27 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -73.82 -30.88 62.95 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.7 t -66.15 -46.66 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.856 1.263 . . . . 0.0 110.742 167.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.69 -36.78 85.39 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.51 0.724 . . . . 0.0 112.425 177.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.98 -45.37 89.37 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.005 0.922 . . . . 0.0 111.514 171.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.41 -47.93 80.44 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.551 0.614 . . . . 0.0 111.231 174.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -57.65 -55.55 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 123.624 0.77 . . . . 0.0 110.721 175.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.5 t -75.33 -14.63 60.5 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -172.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -77.87 -27.59 49.77 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.757 2.023 . . . . 0.0 113.003 166.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -95.39 -37.57 10.89 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.917 0.887 . . . . 0.0 113.166 177.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -86.01 3.64 41.38 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -175.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt . . . . . 0 C--O 1.25 1.131 0 C-N-CA 126.925 2.09 . . . . 0.0 110.764 176.768 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 60.7 tp . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.4 ' HA ' ' HG2' ' A' ' 5' ' ' ARG . 34.6 t70 -70.66 -38.3 73.78 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.738 1.215 . . . . 0.0 112.919 -170.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 p -58.92 -20.25 50.14 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.391 1.076 . . . . 0.0 113.437 166.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.75 -35.78 16.5 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.512 1.125 . . . . 0.0 113.023 174.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.4 ' HG2' ' HA ' ' A' ' 2' ' ' ASP . 7.8 ptp85 -69.65 -29.52 67.0 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 121.422 -0.798 . . . . 0.0 112.241 174.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -65.12 -44.03 90.05 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.337 0.517 . . . . 0.0 111.831 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -68.19 -37.71 81.23 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.736 -0.603 . . . . 0.0 111.849 172.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.05 -44.42 95.92 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -63.27 -40.53 97.66 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.999 0.818 . . . . 0.0 110.967 174.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -66.68 -43.96 83.08 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 117.712 -1.137 . . . . 0.0 111.613 -177.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -58.34 -44.51 88.74 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.546 1.138 . . . . 0.0 111.689 178.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.3 m -80.34 -30.59 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 121.577 -0.702 . . . . 0.0 112.858 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -63.19 -49.54 73.84 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.9 1.28 . . . . 0.0 111.81 169.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -67.47 -35.44 79.17 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 118.681 0.673 . . . . 0.0 111.366 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -68.91 -47.12 66.57 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.725 1.148 . . . . 0.0 111.554 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.4 t -61.95 -42.73 95.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 O-C-N 121.176 -0.952 . . . . 0.0 111.151 173.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -59.54 -48.12 82.88 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 119.933 1.242 . . . . 0.0 111.929 174.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -53.15 61.25 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.301 1.441 . . . . 0.0 108.928 -178.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.6 mm -61.11 -47.75 92.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 124.638 1.175 . . . . 0.0 111.712 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 39.1 t -60.39 -41.88 88.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 CA-C-N 118.763 0.71 . . . . 0.0 110.727 175.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.65 -34.89 90.93 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 123.901 0.762 . . . . 0.0 114.21 174.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -75.72 -39.18 57.76 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.003 1.402 . . . . 0.0 112.482 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.1 m -64.48 -35.73 81.9 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.125 -0.984 . . . . 0.0 111.693 172.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -71.0 -24.69 62.44 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 168.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.65 -34.97 58.25 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.431 1.014 . . . . 0.0 112.787 175.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -97.7 -18.41 18.87 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -172.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.5 t -77.9 140.79 39.32 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.645 1.111 . . . . 0.0 113.261 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.3 m -80.08 147.98 31.22 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.074 0.95 . . . . 0.0 110.482 165.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -45.7 -43.94 13.15 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.417 1.487 . . . . 0.0 114.136 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -60.5 -19.68 57.69 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 127.301 2.24 . . . . 0.0 113.801 -177.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -120.16 12.13 11.77 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.499 1.919 . . . . 0.0 113.397 -174.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -49.87 -33.02 15.78 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.053 -1.029 . . . . 0.0 113.006 175.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.0 m -46.72 -34.61 5.31 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.993 2.117 . . . . 0.0 114.4 174.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.1 mm -79.88 -37.44 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 123.922 0.889 . . . . 0.0 110.638 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.5 p -63.81 -46.73 83.83 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.465 -0.772 . . . . 0.0 111.621 174.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.2 p -64.07 -33.09 60.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 118.545 -0.74 . . . . 0.0 112.57 176.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.46 -49.67 74.51 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.758 1.163 . . . . 0.0 111.666 170.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.6 tp -61.13 -34.39 74.9 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.073 0.949 . . . . 0.0 112.348 175.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 75.7 t -70.26 -42.84 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 119.965 1.257 . . . . 0.0 111.671 174.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -59.15 -33.93 71.48 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.492 0.717 . . . . 0.0 111.757 174.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -74.68 -53.93 8.35 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.421 1.088 . . . . 0.0 112.231 172.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.0 mt -61.03 -40.69 94.57 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.13 1.372 . . . . 0.0 113.745 -173.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -65.19 -28.3 69.29 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 118.641 -0.695 . . . . 0.0 111.995 174.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -77.79 -42.2 34.75 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.666 0.787 . . . . 0.0 111.169 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.2 mt -57.43 -47.16 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 168.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -58.36 -53.98 52.13 Favored 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 122.743 0.417 . . . . 0.0 111.541 177.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -51.74 -51.17 58.17 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.265 1.826 . . . . 0.0 112.263 178.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -66.88 -44.65 80.36 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.821 0.448 . . . . 0.0 111.947 -178.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -74.92 -28.87 60.79 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 118.194 -0.908 . . . . 0.0 111.881 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 39.3 mt -62.7 -43.32 99.11 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 120.293 1.406 . . . . 0.0 111.827 168.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -58.01 -38.31 75.92 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 118.603 0.638 . . . . 0.0 110.734 172.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -76.4 -11.75 59.94 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.096 1.359 . . . . 0.0 113.384 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 58.0 mt -93.81 -45.18 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.657 1.583 . . . . 0.0 110.924 175.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -66.42 -34.9 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 121.308 -0.87 . . . . 0.0 111.616 175.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -100.45 14.48 31.05 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 176.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.4 132.74 46.84 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.031 -1.043 . . . . 0.0 111.493 168.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.8 p -92.78 -5.13 51.81 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.14 1.376 . . . . 0.0 114.149 173.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 m -136.99 119.48 15.9 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.791 1.178 . . . . 0.0 113.36 -170.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -57.92 -35.74 71.49 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 121.04 -1.037 . . . . 0.0 112.564 169.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.3 p -65.43 -17.42 64.53 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.545 1.938 . . . . 0.0 115.036 176.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -102.62 -36.7 8.25 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.034 1.333 . . . . 0.0 111.48 172.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.1 mt -53.44 -42.08 66.76 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.812 1.245 . . . . 0.0 112.597 173.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -62.3 -21.97 65.66 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 177.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.6 mm -95.0 -34.08 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 124.914 1.286 . . . . 0.0 112.697 176.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.2 mt -55.09 -30.24 59.29 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.308 0.958 . . . . 0.0 112.383 175.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 38.0 mtm -58.51 -51.68 68.83 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.948 0.899 . . . . 0.0 113.182 168.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 14.4 mmt -70.01 -42.8 72.55 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.756 1.222 . . . . 0.0 110.882 -175.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -56.74 -48.31 78.09 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.372 1.069 . . . . 0.0 111.208 172.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.1 m -62.23 -43.62 98.41 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.823 -0.548 . . . . 0.0 111.338 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -65.44 -39.15 91.72 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.7 1.2 . . . . 0.0 113.358 -178.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.0 t -60.79 -52.5 64.8 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.49 1.116 . . . . 0.0 111.104 169.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -69.29 -29.9 67.87 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -174.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 26.2 t -66.04 -50.43 69.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.356 1.062 . . . . 0.0 111.223 171.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -61.49 -38.68 88.21 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.769 0.713 . . . . 0.0 112.052 176.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -61.98 -48.55 79.84 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 118.912 -0.566 . . . . 0.0 111.752 173.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.63 -40.6 88.16 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.107 0.867 . . . . 0.0 112.08 177.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.24 -52.4 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.246 1.018 . . . . 0.0 111.134 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.0 t -67.01 -40.4 87.28 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 117.991 0.359 . . . . 0.0 111.48 -177.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -52.15 -41.39 62.52 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.448 1.499 . . . . 0.0 112.278 170.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -83.34 -30.24 27.64 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.436 1.272 . . . . 0.0 114.436 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -95.08 0.78 54.69 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -178.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.2 mttm . . . . . 0 N--CA 1.48 1.068 0 C-N-CA 126.982 2.113 . . . . 0.0 113.512 176.899 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.1 mp . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 119.139 -0.458 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.438 ' HA ' ' HG2' ' A' ' 5' ' ' ARG . 64.1 m-20 -47.52 -47.33 27.85 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 127.411 2.285 . . . . 0.0 112.937 165.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 p -55.41 -37.44 67.63 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.996 1.318 . . . . 0.0 113.087 169.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -72.7 -44.63 61.5 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.356 1.462 . . . . 0.0 113.034 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.438 ' HG2' ' HA ' ' A' ' 2' ' ' ASP . 21.8 ptt180 -73.61 -28.44 61.81 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 118.743 -0.646 . . . . 0.0 111.8 178.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -66.61 -46.19 76.69 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 118.981 0.81 . . . . 0.0 110.779 167.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -55.24 -45.94 76.02 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.59 0.632 . . . . 0.0 111.47 174.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.27 -44.02 97.49 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.626 0.77 . . . . 0.0 112.834 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -69.12 -37.47 78.35 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.874 -1.141 . . . . 0.0 113.128 173.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -63.62 -37.65 88.15 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.437 1.017 . . . . 0.0 111.224 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -61.9 -48.39 80.69 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.062 0.945 . . . . 0.0 112.366 173.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.6 m -75.84 -28.77 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 O-C-N 120.694 -1.254 . . . . 0.0 113.098 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.0 -54.51 46.12 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.751 1.22 . . . . 0.0 110.343 168.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -65.31 -36.28 83.58 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -68.72 -45.68 70.91 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.583 0.629 . . . . 0.0 111.256 -179.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.45 -48.4 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 121.285 -0.884 . . . . 0.0 111.107 176.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.41 -28.7 68.13 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.781 1.173 . . . . 0.0 112.99 178.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -63.52 -50.07 71.03 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 118.965 0.802 . . . . 0.0 109.915 169.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.2 mm -69.59 -28.02 36.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 123.299 0.64 . . . . 0.0 111.889 -175.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.3 t -57.83 -50.89 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 CA-C-N 119.528 1.058 . . . . 0.0 110.809 164.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.23 -44.35 97.18 Favored Glycine 0 CA--C 1.535 1.328 0 O-C-N 121.77 -0.581 . . . . 0.0 113.367 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -67.97 -22.37 65.03 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.347 -1.09 . . . . 0.0 113.398 176.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.3 t -74.3 -49.48 22.86 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.577 0.751 . . . . 0.0 110.946 168.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -60.14 -27.79 67.37 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 174.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.71 -33.42 75.83 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 172.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -105.6 -8.93 17.67 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.9 p -87.06 -171.22 3.41 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.475 1.11 . . . . 0.0 111.066 164.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 t -157.58 162.6 38.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.943 1.697 . . . . 0.0 109.435 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -45.98 -38.2 7.44 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.919 0.887 . . . . 0.0 112.733 168.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -66.43 -15.72 63.54 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.935 1.294 . . . . 0.0 114.126 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 71.5 mtt-85 -135.37 26.82 3.46 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 127.111 2.165 . . . . 0.0 111.477 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -52.91 -36.97 60.22 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.036 0.934 . . . . 0.0 112.126 -175.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.22 -34.93 66.76 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 128.438 2.695 . . . . 0.0 112.782 178.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.1 mm -65.08 -47.54 87.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.155 0.982 . . . . 0.0 110.298 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -42.26 98.5 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.606 0.762 . . . . 0.0 111.762 175.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 70.0 t -61.5 -47.26 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-N 119.047 0.84 . . . . 0.0 111.377 175.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.31 -35.64 80.9 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.9 tp -73.03 -35.09 66.69 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.486 -0.759 . . . . 0.0 112.407 174.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 37.7 t -59.0 -38.76 75.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 CA-C-N 119.847 1.203 . . . . 0.0 111.365 173.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -59.08 -41.61 88.45 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 175.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -75.49 -45.92 35.5 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.322 1.049 . . . . 0.0 111.08 175.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.5 mt -50.21 -44.3 53.07 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.712 -1.243 . . . . 0.0 112.326 177.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -81.17 -22.34 39.04 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -61.33 -46.64 89.42 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.618 1.167 . . . . 0.0 110.026 170.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.5 mt -64.74 -43.57 96.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 123.889 0.875 . . . . 0.0 110.113 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -61.38 -46.21 91.13 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.445 -0.784 . . . . 0.0 112.091 175.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -60.15 -45.57 92.61 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.207 1.803 . . . . 0.0 112.393 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -62.47 -52.51 63.22 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.628 1.171 . . . . 0.0 111.838 174.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -74.48 -28.24 60.93 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 118.089 -0.958 . . . . 0.0 112.299 -173.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.6 mt -56.63 -36.51 69.57 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 120.257 1.39 . . . . 0.0 112.41 167.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.95 -36.66 82.72 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.969 0.804 . . . . 0.0 111.146 175.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -67.4 -35.37 79.15 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.132 0.973 . . . . 0.0 111.851 173.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.8 mm -60.3 -52.0 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 119.116 0.871 . . . . 0.0 111.359 172.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -80.97 -21.31 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -171.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -76.3 -22.95 54.38 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 120.879 -1.138 . . . . 0.0 112.832 169.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 t -79.21 145.86 33.38 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 122.294 1.045 . . . . 0.0 113.308 -176.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -131.23 39.63 3.52 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.638 1.575 . . . . 0.0 109.779 162.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.0 m -136.24 105.67 6.08 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 119.956 -1.715 . . . . 0.0 111.666 -175.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.47 -36.43 78.26 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.178 1.391 . . . . 0.0 114.742 -170.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.2 p -64.01 -55.1 24.78 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 119.018 0.826 . . . . 0.0 111.544 174.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.8 mp0 -60.41 -38.37 83.81 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.692 0.678 . . . . 0.0 112.066 178.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.7 mt -56.15 -41.19 75.03 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.645 0.778 . . . . 0.0 112.694 172.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -70.83 -39.04 73.24 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.359 0.527 . . . . 0.0 112.127 176.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.7 mm -69.46 -32.98 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 119.922 1.237 . . . . 0.0 112.008 177.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.5 mt -56.19 -28.04 56.78 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.029 0.832 . . . . 0.0 113.059 175.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 42.6 mtm -60.93 -52.45 64.98 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.373 0.533 . . . . 0.0 110.738 170.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -68.15 -38.31 81.98 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.785 1.234 . . . . 0.0 112.678 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.36 -43.21 99.26 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.612 0.765 . . . . 0.0 111.671 173.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.6 p -65.43 -39.96 92.74 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.68 -0.637 . . . . 0.0 111.675 175.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -59.63 -42.42 92.69 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.462 1.505 . . . . 0.0 112.095 177.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.2 m -55.62 -49.58 72.46 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.568 0.747 . . . . 0.0 111.979 172.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -64.49 -36.92 85.75 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.462 0.574 . . . . 0.0 112.291 176.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.0 t -69.66 -47.16 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.573 0.749 . . . . 0.0 112.207 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -73.43 -30.85 63.49 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.695 -0.628 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.16 -46.49 88.25 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 120.582 -1.324 . . . . 0.0 111.175 164.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.66 -37.36 81.27 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 118.846 0.748 . . . . 0.0 112.143 178.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.1 t -57.18 -60.22 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 119.732 1.151 . . . . 0.0 110.488 171.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.0 t -66.27 -30.86 71.38 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -174.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -62.27 -29.73 70.62 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.588 -1.32 . . . . 0.0 112.45 171.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -100.65 -12.25 19.34 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.776 1.23 . . . . 0.0 114.16 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -70.36 -17.48 63.05 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 120.22 1.373 . . . . 0.0 113.867 171.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.6 mtmp? . . . . . 0 C--O 1.253 1.26 0 CA-C-O 116.835 -1.555 . . . . 0.0 114.741 -164.723 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 N--CA 1.477 0.895 0 CA-C-O 120.891 0.377 . . . . 0.0 111.98 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.415 ' CG ' ' H ' ' A' ' 3' ' ' SER . 9.2 p-10 -98.35 -62.51 1.23 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 127.117 2.167 . . . . 0.0 110.142 175.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.415 ' H ' ' CG ' ' A' ' 2' ' ' ASP . 20.8 m -58.74 -32.98 69.73 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 124.758 1.223 . . . . 0.0 110.688 169.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -61.09 -38.74 87.35 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.963 1.305 . . . . 0.0 113.499 175.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -87.45 -26.73 23.1 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 121.904 -0.497 . . . . 0.0 112.034 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -68.65 -43.4 76.31 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 122.852 0.461 . . . . 0.0 110.735 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -39.78 94.38 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-O 119.028 -0.51 . . . . 0.0 111.832 172.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.88 -44.04 94.25 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 119.174 -0.441 . . . . 0.0 111.502 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.6 ptt85 -66.8 -44.2 81.89 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.662 0.664 . . . . 0.0 110.927 173.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -67.74 -36.16 80.06 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.317 0.962 . . . . 0.0 112.142 -172.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -57.42 -42.59 82.64 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.667 1.187 . . . . 0.0 111.919 172.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.0 m -83.23 -35.15 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 121.48 -0.762 . . . . 0.0 112.978 -178.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -59.68 -49.65 76.93 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.583 1.083 . . . . 0.0 112.248 168.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -69.05 -25.12 64.31 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -178.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.44 ' CD2' ' HG2' ' A' ' 70' ' ' ARG . 16.8 t80 -79.47 -47.02 16.35 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 172.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.422 HG13 ' HB3' ' A' ' 42' ' ' LEU . 3.6 t -59.34 -44.27 92.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-N 119.897 1.226 . . . . 0.0 111.193 176.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -64.81 -28.81 69.82 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 120.326 1.421 . . . . 0.0 113.169 176.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -74.94 -49.54 19.78 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.839 1.256 . . . . 0.0 109.294 -179.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.8 mm -63.37 -37.95 80.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 124.018 0.927 . . . . 0.0 111.431 175.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.0 t -63.33 -48.83 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 121.161 -0.962 . . . . 0.0 111.692 170.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.62 -38.05 95.77 Favored Glycine 0 CA--C 1.534 1.239 0 CA-C-N 119.72 1.146 . . . . 0.0 113.279 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -69.22 -28.88 66.75 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.391 1.476 . . . . 0.0 112.443 174.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 p -60.53 -34.06 73.57 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 120.78 -1.2 . . . . 0.0 112.267 175.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -69.52 -26.93 64.76 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 172.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.72 -40.11 61.49 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.839 0.856 . . . . 0.0 112.339 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.14 -6.14 59.37 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 176.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.9 m -107.63 160.35 15.76 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -172.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.8 m -97.63 147.73 24.02 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.691 1.996 . . . . 0.0 109.494 165.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -54.43 -41.29 69.21 Favored 'General case' 0 N--CA 1.484 1.266 0 O-C-N 120.669 -1.27 . . . . 0.0 112.343 172.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -68.0 4.11 1.32 Allowed 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.012 1.725 . . . . 0.0 114.62 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -123.76 20.19 9.34 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.331 2.252 . . . . 0.0 112.829 172.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -58.95 -15.95 15.44 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 m -55.37 -31.58 61.89 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.605 -1.309 . . . . 0.0 112.113 168.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.0 mt -74.4 -52.3 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.378 1.071 . . . . 0.0 110.377 175.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.3 p -64.51 -47.03 80.42 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.823 -0.548 . . . . 0.0 111.834 -177.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.1 t -62.14 -35.31 68.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.079 0.952 . . . . 0.0 111.902 178.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.45 -49.57 53.78 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 119.539 1.063 . . . . 0.0 112.126 173.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 67.4 tp -62.37 -36.42 82.24 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.528 0.731 . . . . 0.0 112.039 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.4 t -60.81 -45.49 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.616 1.166 . . . . 0.0 111.659 173.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -66.6 -36.21 82.05 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 177.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -69.34 -48.18 62.17 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 118.743 0.701 . . . . 0.0 111.633 174.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.422 ' HB3' HG13 ' A' ' 16' ' ' VAL . 97.9 mt -61.98 -33.63 74.66 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 120.852 -1.155 . . . . 0.0 112.509 177.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -63.45 -39.51 94.67 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 118.326 -0.845 . . . . 0.0 112.959 169.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -70.62 -44.24 67.64 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.437 1.017 . . . . 0.0 110.278 -176.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.59 -46.72 95.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 123.447 0.699 . . . . 0.0 110.421 175.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -57.26 -44.86 84.28 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.748 0.819 . . . . 0.0 111.775 174.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -71.35 -44.76 64.42 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.745 1.618 . . . . 0.0 112.725 -174.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -60.19 -49.82 76.12 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.485 -0.759 . . . . 0.0 111.071 171.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -71.79 -31.76 66.92 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 118.414 -0.803 . . . . 0.0 112.229 -175.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.4 mt -52.87 -45.69 67.58 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.825 1.193 . . . . 0.0 111.548 166.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -66.01 -41.11 91.45 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.766 0.712 . . . . 0.0 111.638 178.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -67.44 -20.1 65.45 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.022 0.929 . . . . 0.0 113.366 177.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.5 mt -93.34 -47.92 13.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 126.607 1.963 . . . . 0.0 111.064 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 p -64.19 -38.26 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 O-C-N 121.193 -0.942 . . . . 0.0 111.344 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.49 -4.04 58.11 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 177.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.62 133.55 53.79 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.268 1.027 . . . . 0.0 112.889 -163.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.2 t -104.47 1.32 29.84 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.235 1.414 . . . . 0.0 113.096 -167.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.7 m -138.7 115.23 10.54 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.735 1.614 . . . . 0.0 110.338 -169.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -67.24 -35.6 79.89 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -169.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.9 p -73.99 -35.12 64.41 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.436 -0.79 . . . . 0.0 112.815 173.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.74 -27.99 68.06 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.16 -0.963 . . . . 0.0 112.963 -175.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.8 mt -51.87 -38.76 57.31 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.139 0.976 . . . . 0.0 112.704 170.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -68.63 -43.64 75.91 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 117.792 0.269 . . . . 0.0 110.897 175.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.9 mm -67.35 -34.01 66.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 O-C-N 121.137 -0.977 . . . . 0.0 111.554 -176.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.1 mt -58.35 -29.15 65.73 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.746 -0.645 . . . . 0.0 112.672 172.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.3 mtm -65.7 -43.4 89.28 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.462 1.028 . . . . 0.0 111.29 171.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -75.01 -40.76 60.45 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.377 -0.827 . . . . 0.0 112.293 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -58.29 -53.46 58.09 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.786 0.721 . . . . 0.0 111.404 172.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.9 p -62.64 -36.8 83.98 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 122.361 -0.212 . . . . 0.0 111.506 -179.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.44 ' HG2' ' CD2' ' A' ' 15' ' ' TYR . 30.9 mtp-105 -66.39 -45.23 80.73 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.433 1.093 . . . . 0.0 112.874 176.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 m -57.75 -37.66 74.01 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 118.787 -0.625 . . . . 0.0 112.386 170.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -70.65 -36.62 73.49 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.091 0.957 . . . . 0.0 113.462 174.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.4 t -63.95 -44.1 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 119.347 0.976 . . . . 0.0 110.945 171.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -67.9 -28.77 67.79 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.456 0.702 . . . . 0.0 112.692 176.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -71.48 -40.21 70.39 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.144 1.378 . . . . 0.0 112.482 169.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.31 -42.91 96.55 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.503 -0.748 . . . . 0.0 110.644 171.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.9 t -60.07 -47.55 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.711 169.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.8 t -57.35 -27.25 62.09 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.67 1.188 . . . . 0.0 113.852 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -79.96 -57.29 3.71 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.372 1.469 . . . . 0.0 112.323 171.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -77.81 -11.78 59.92 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -171.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -73.62 -15.73 61.25 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 120.877 -1.139 . . . . 0.0 113.801 172.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.2 mttt . . . . . 0 C--O 1.246 0.879 0 C-N-CA 124.563 1.145 . . . . 0.0 114.019 -167.199 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.484 1.231 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -84.29 -56.27 3.73 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 120.777 1.626 . . . . 0.0 112.846 -164.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 p -67.02 -15.82 63.97 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.181 -1.574 . . . . 0.0 112.691 166.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -76.07 -41.1 51.59 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 169.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 ptp85 -64.06 -28.2 69.62 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.525 -0.734 . . . . 0.0 111.896 166.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -63.66 -38.54 91.49 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.784 0.834 . . . . 0.0 112.152 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -67.72 -43.65 79.51 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.911 -0.493 . . . . 0.0 111.429 171.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.16 -38.14 89.61 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -178.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -67.21 -37.59 83.89 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.322 -0.862 . . . . 0.0 111.977 171.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -65.28 -39.02 92.03 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.993 0.917 . . . . 0.0 112.27 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -57.19 -47.0 82.35 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.721 1.209 . . . . 0.0 112.278 174.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.5 m -80.93 -32.32 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 O-C-N 121.141 -0.974 . . . . 0.0 113.069 -178.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.45 -51.03 69.94 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.741 1.216 . . . . 0.0 111.161 168.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -67.76 -35.73 79.23 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.24 0.473 . . . . 0.0 112.121 -177.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -66.18 -40.69 90.65 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.645 -0.659 . . . . 0.0 111.849 177.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.0 t -62.15 -51.33 73.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 O-C-N 121.183 -0.948 . . . . 0.0 111.885 174.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -64.57 -29.69 70.71 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 120.294 1.406 . . . . 0.0 113.003 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -70.81 -49.14 49.58 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.07 0.948 . . . . 0.0 110.043 178.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.8 mm -66.86 -36.92 78.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 123.902 0.881 . . . . 0.0 111.081 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.78 -49.97 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 118.915 0.779 . . . . 0.0 111.274 168.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.61 -37.91 95.47 Favored Glycine 0 CA--C 1.532 1.142 0 CA-C-N 118.758 0.708 . . . . 0.0 113.832 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -71.73 -26.9 62.67 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.564 1.146 . . . . 0.0 112.888 173.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.5 p -64.14 -35.02 79.41 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.495 1.043 . . . . 0.0 112.806 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -72.28 -33.82 67.73 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.642 -0.661 . . . . 0.0 112.466 169.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.14 -45.43 85.05 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.751 0.705 . . . . 0.0 111.85 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . 0.25 8.8 ptmm? -87.33 17.5 4.38 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 86.5 p -138.09 -162.38 1.3 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.282 1.833 . . . . 0.0 110.778 174.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.3 m -144.47 146.09 32.24 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.314 1.846 . . . . 0.0 108.781 175.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -37.14 -43.87 0.52 Allowed 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 116.204 1.928 . . . . 0.0 116.204 -174.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -30.66 62.37 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.666 1.121 . . . . 0.0 113.044 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -91.63 14.63 14.55 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.39 1.876 . . . . 0.0 114.512 175.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -56.6 -20.4 20.81 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 p -54.5 -38.96 67.09 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.978 1.263 . . . . 0.0 112.123 169.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.8 mt -75.71 -38.69 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 124.189 0.996 . . . . 0.0 110.625 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.2 p -68.7 -44.88 73.02 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.335 -0.853 . . . . 0.0 111.68 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.37 -38.64 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 125.57 1.548 . . . . 0.0 112.096 173.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.49 -44.2 79.09 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.085 -1.009 . . . . 0.0 112.445 173.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.8 tp -64.01 -41.18 97.55 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.751 0.82 . . . . 0.0 112.067 175.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.0 t -54.49 -41.49 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 126.03 1.732 . . . . 0.0 111.452 173.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -64.71 -37.86 89.02 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -71.55 -43.73 65.87 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.196 0.907 . . . . 0.0 111.582 173.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.14 -33.13 74.79 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 120.758 -1.214 . . . . 0.0 112.084 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -65.55 -39.34 91.59 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.599 0.76 . . . . 0.0 112.919 166.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -64.52 -43.5 93.86 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.408 0.549 . . . . 0.0 109.776 -178.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.3 mt -68.79 -46.54 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.682 175.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -55.43 -50.09 70.71 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 120.401 1.455 . . . . 0.0 111.695 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -69.97 -47.71 61.18 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 123.689 0.796 . . . . 0.0 111.707 -176.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.57 -39.52 80.52 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.795 176.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -81.8 -32.32 31.35 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 118.017 -0.992 . . . . 0.0 112.597 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.3 mt -54.23 -47.59 72.03 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 120.401 1.455 . . . . 0.0 110.866 168.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -58.19 -48.57 79.91 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.118 0.567 . . . . 0.0 111.655 172.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -64.86 -28.44 69.55 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.922 -1.111 . . . . 0.0 113.14 -177.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.9 mt -84.23 -45.52 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 126.635 1.974 . . . . 0.0 110.99 -178.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 p -66.16 -33.58 64.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 119.02 0.827 . . . . 0.0 112.064 177.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -82.88 -12.66 57.21 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.5 t -69.81 138.2 52.46 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.328 1.451 . . . . 0.0 113.027 -170.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.7 p -108.57 -32.33 7.42 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.9 m -87.2 114.34 23.72 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.878 1.217 . . . . 0.0 111.707 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -64.96 -36.79 85.53 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -178.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 m -72.27 0.86 8.81 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.13 -0.981 . . . . 0.0 113.628 172.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -104.61 -32.58 8.86 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.515 1.126 . . . . 0.0 112.744 164.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.6 mt -50.3 -42.36 52.45 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.582 1.083 . . . . 0.0 112.116 172.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -65.91 -28.62 69.07 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 176.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.7 mm -82.09 -31.87 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 O-C-N 121.037 -1.039 . . . . 0.0 112.467 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.88 -29.9 30.9 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.085 0.857 . . . . 0.0 111.93 171.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 41.7 mtm -61.34 -54.13 47.75 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.876 0.87 . . . . 0.0 112.52 172.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 37.9 mtm -71.78 -32.06 67.27 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.132 0.973 . . . . 0.0 112.523 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -67.07 -42.78 84.13 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.429 -0.794 . . . . 0.0 112.052 172.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.1 t -62.37 -43.71 98.18 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 118.911 -0.566 . . . . 0.0 110.922 171.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -55.39 -50.29 70.11 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-O 117.82 -1.086 . . . . 0.0 111.265 172.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 t -54.6 -41.27 69.72 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.413 1.085 . . . . 0.0 112.405 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -77.95 -31.07 50.71 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.9 t -71.96 -39.97 67.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 119.959 1.254 . . . . 0.0 110.995 172.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -67.71 -35.57 79.03 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.291 1.836 . . . . 0.0 111.15 176.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -62.3 -47.15 85.58 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 121.119 -0.988 . . . . 0.0 111.922 162.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.99 -40.78 85.9 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.833 1.197 . . . . 0.0 111.767 -178.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.4 t -56.94 -60.19 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-N 118.588 0.631 . . . . 0.0 110.22 167.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.4 m -55.39 -32.79 62.93 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.489 1.115 . . . . 0.0 113.353 -174.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -75.74 -42.99 49.08 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 129.544 3.138 . . . . 0.0 113.121 175.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -86.33 -13.18 47.32 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -178.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -72.57 -8.12 53.58 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.643 1.177 . . . . 0.0 113.992 170.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm . . . . . 0 C--O 1.251 1.15 0 C-N-CA 127.341 2.256 . . . . 0.0 113.769 -173.316 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -86.25 -25.04 25.76 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.323 1.849 . . . . 0.0 114.015 -174.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -86.09 -39.41 16.78 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.397 0.679 . . . . 0.0 110.439 166.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.56 -42.82 83.79 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.368 1.067 . . . . 0.0 113.224 176.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.7 ptt85 -68.1 -28.7 67.56 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 174.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.2 -45.27 49.43 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.144 0.429 . . . . 0.0 110.888 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -51.89 -47.4 64.57 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.916 0.886 . . . . 0.0 111.196 169.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.61 -43.35 89.91 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.627 1.171 . . . . 0.0 113.654 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -68.52 -37.28 79.9 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.523 1.056 . . . . 0.0 112.186 175.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -66.93 -37.43 84.3 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 118.096 -0.954 . . . . 0.0 112.311 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -52.58 -47.3 66.94 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 118.978 0.808 . . . . 0.0 112.125 170.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 m -80.1 -22.21 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -64.49 -44.5 90.79 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.827 1.194 . . . . 0.0 111.156 166.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -61.05 -43.82 98.31 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.567 0.747 . . . . 0.0 112.007 171.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -61.18 -47.49 85.93 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.443 0.565 . . . . 0.0 111.643 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.17 -50.34 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 O-C-N 121.021 -1.049 . . . . 0.0 111.762 176.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -66.59 -35.98 81.5 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 120.561 1.528 . . . . 0.0 112.4 -178.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.7 tttp -63.08 -45.64 91.15 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.498 1.119 . . . . 0.0 110.874 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.5 mm -74.43 -28.14 22.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 124.464 1.105 . . . . 0.0 112.162 -177.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.4 t -61.38 -38.79 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 O-C-N 120.942 -1.099 . . . . 0.0 110.488 163.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.62 -54.71 35.1 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.429 1.014 . . . . 0.0 113.377 167.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -57.08 -36.63 70.81 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 118.253 1.026 . . . . 0.0 112.728 176.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.7 m -65.08 -43.42 92.22 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.827 0.851 . . . . 0.0 111.553 178.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -78.1 -13.03 60.02 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 173.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.27 -36.76 46.39 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.151 0.887 . . . . 0.0 112.625 168.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -103.83 -0.88 28.64 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 -173.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.9 m -92.86 172.09 8.56 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.698 1.199 . . . . 0.0 113.736 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.0 m -138.06 148.48 45.1 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.643 1.577 . . . . 0.0 109.479 -176.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -27.53 18.5 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 116.166 1.914 . . . . 0.0 116.166 -168.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -65.25 -37.13 86.28 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.424 1.09 . . . . 0.0 112.42 174.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -74.97 36.73 0.11 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.954 2.102 . . . . 0.0 112.87 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -63.54 -42.55 98.39 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.816 -1.177 . . . . 0.0 111.994 -178.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.0 m -63.89 -37.8 88.73 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.196 0.598 . . . . 0.0 112.01 173.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.3 mm -69.85 -41.13 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 121.506 -0.746 . . . . 0.0 111.132 178.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -67.28 -42.12 84.35 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 117.742 -1.123 . . . . 0.0 112.076 178.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.4 p -63.52 -50.06 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 120.135 1.334 . . . . 0.0 110.827 169.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.46 -48.56 81.17 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.253 0.933 . . . . 0.0 112.267 -174.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.7 tp -66.21 -40.5 90.4 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.645 0.778 . . . . 0.0 112.167 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.5 t -66.57 -40.29 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 119.855 1.207 . . . . 0.0 111.594 177.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -41.45 97.98 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.626 0.77 . . . . 0.0 111.368 172.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -65.78 -45.67 81.61 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.129 0.972 . . . . 0.0 111.042 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.8 mt -54.69 -36.36 64.59 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.433 1.093 . . . . 0.0 112.019 172.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -76.4 -28.33 56.65 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 172.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -75.67 -42.54 50.94 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.73 1.15 . . . . 0.0 110.057 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.8 mt -56.95 -42.02 78.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 124.724 1.21 . . . . 0.0 109.753 166.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -61.26 -43.36 99.01 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 118.423 -0.799 . . . . 0.0 112.128 175.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -62.14 -49.33 76.3 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.749 1.159 . . . . 0.0 111.774 175.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -55.04 -49.01 72.65 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.131 0.972 . . . . 0.0 111.2 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.569 ' CZ ' ' HE2' ' A' ' 52' ' ' LYS . 30.7 m-85 -78.76 -31.41 46.15 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 117.737 -1.125 . . . . 0.0 112.703 -177.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.5 mt -55.98 -44.51 78.64 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.715 1.598 . . . . 0.0 111.331 165.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -63.1 -43.19 99.18 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.411 1.085 . . . . 0.0 111.814 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.569 ' HE2' ' CZ ' ' A' ' 49' ' ' TYR . 20.0 mtpp -67.77 -34.59 77.11 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.088 -1.008 . . . . 0.0 112.387 176.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.0 mt -79.99 -36.87 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 125.809 1.644 . . . . 0.0 111.847 -177.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 p -77.01 -25.68 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 119.575 1.079 . . . . 0.0 112.988 176.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -94.08 1.72 56.12 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.264 1.026 . . . . 0.0 113.236 174.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.3 m -62.99 128.6 36.63 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 120.614 -1.304 . . . . 0.0 112.725 -174.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.8 t -89.95 -32.47 16.8 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.6 m -119.43 127.99 53.61 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.37 1.068 . . . . 0.0 112.758 -169.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -61.43 -42.9 99.48 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.644 0.777 . . . . 0.0 113.01 -175.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 m -70.81 -6.3 36.82 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -177.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -99.42 -23.79 15.01 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.845 0.858 . . . . 0.0 112.482 170.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.1 mt -58.23 -41.2 83.61 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.948 1.249 . . . . 0.0 111.613 172.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -62.51 -33.26 74.54 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 175.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.0 mm -80.54 -32.61 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 O-C-N 120.95 -1.094 . . . . 0.0 112.464 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.6 mt -55.96 -24.9 41.12 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.1 0.863 . . . . 0.0 112.788 174.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 55.1 mtm -62.0 -50.43 72.09 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.765 0.826 . . . . 0.0 112.885 168.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 47.0 mtm -76.58 -30.23 56.91 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.888 1.275 . . . . 0.0 112.667 -177.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -59.24 -51.92 67.88 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.519 1.128 . . . . 0.0 112.177 164.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.5 m -58.22 -44.04 88.02 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 120.984 0.421 . . . . 0.0 110.239 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -59.14 -41.31 88.01 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.724 1.21 . . . . 0.0 112.406 175.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.4 m -63.26 -43.09 98.95 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.126 0.971 . . . . 0.0 112.499 176.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -67.76 -37.06 81.61 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 119.214 0.916 . . . . 0.0 112.603 173.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.0 t -65.18 -47.6 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.445 0.698 . . . . 0.0 111.22 175.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -56.24 -45.66 79.88 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.624 1.17 . . . . 0.0 111.416 174.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.69 -47.82 81.99 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 176.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.61 78.07 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.887 0.767 . . . . 0.0 111.649 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 99.5 t -63.01 -51.5 71.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 123.295 0.638 . . . . 0.0 110.609 178.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.08 -20.05 59.68 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -171.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -75.44 -33.41 60.9 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.197 0.999 . . . . 0.0 113.542 165.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -89.44 -18.68 26.29 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -87.47 -2.79 58.86 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.463 1.282 . . . . 0.0 114.463 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 116.045 1.869 . . . . 0.0 116.045 -168.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.414 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . 3.0 tt . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 119.021 -0.514 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -62.48 -31.57 72.33 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.962 1.255 . . . . 0.0 111.932 168.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 p -57.98 -30.63 66.2 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.304 -0.872 . . . . 0.0 112.914 168.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -79.49 -41.62 27.04 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 125.434 1.493 . . . . 0.0 111.851 177.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.417 ' HD2' ' HA ' ' A' ' 54' ' ' VAL . 15.4 ptt180 -67.27 -29.1 68.63 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 118.94 -0.552 . . . . 0.0 112.362 178.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -69.54 -50.86 40.91 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 118.657 0.662 . . . . 0.0 111.415 175.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.3 ptmm? -61.27 -36.99 81.55 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.159 -0.963 . . . . 0.0 111.536 173.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.62 92.09 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.214 0.915 . . . . 0.0 113.461 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -66.58 -42.81 86.4 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 119.653 1.115 . . . . 0.0 110.86 174.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -65.83 -36.75 84.37 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -59.43 -38.76 81.49 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.257 1.823 . . . . 0.0 112.578 174.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.6 m -84.76 -30.05 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 O-C-N 121.735 -0.603 . . . . 0.0 112.538 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -58.69 -51.73 68.69 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.182 0.901 . . . . 0.0 112.159 171.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -61.34 -31.45 71.32 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 118.49 0.586 . . . . 0.0 111.858 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -75.61 -48.53 21.83 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.282 0.633 . . . . 0.0 111.299 -177.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.2 t -54.3 -49.51 63.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.105 0.962 . . . . 0.0 110.435 167.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -65.36 -33.98 77.24 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.859 0.864 . . . . 0.0 113.243 -176.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -64.83 -50.08 68.07 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.5 1.12 . . . . 0.0 109.836 172.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.0 mt -72.47 -31.85 39.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 C-N-CA 124.169 0.988 . . . . 0.0 112.513 -174.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.7 t -59.88 -49.94 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 O-C-N 121.085 -1.01 . . . . 0.0 110.946 168.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.22 -37.56 93.05 Favored Glycine 0 CA--C 1.534 1.243 0 CA-C-O 119.617 -0.546 . . . . 0.0 113.533 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -68.06 -32.07 72.16 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.032 1.416 . . . . 0.0 112.474 172.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.3 m -65.13 -38.73 91.56 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.366 -0.834 . . . . 0.0 111.68 173.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -64.78 -41.95 95.47 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.538 -0.726 . . . . 0.0 112.006 169.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.63 -34.24 77.82 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.02 15.08 21.62 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 173.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 t -76.56 162.24 27.94 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.419 1.088 . . . . 0.0 112.442 174.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.38 176.13 9.59 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.59 1.556 . . . . 0.0 109.804 172.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -67.1 -36.4 81.85 Favored 'General case' 0 N--CA 1.483 1.191 0 O-C-N 120.273 -1.517 . . . . 0.0 111.635 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -72.57 -46.05 56.25 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.346 1.858 . . . . 0.0 112.44 171.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -75.56 -11.01 59.94 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -173.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -47.69 -40.88 21.24 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.457 1.903 . . . . 0.0 114.764 -174.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.7 m -57.01 -40.2 76.17 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.243 1.017 . . . . 0.0 112.46 177.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.1 mt -68.96 -46.14 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 C-N-CA 123.771 0.828 . . . . 0.0 109.455 176.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.9 m -55.92 -47.89 76.68 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.049 0.939 . . . . 0.0 111.816 -177.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.2 t -69.47 -41.13 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 121.61 -0.681 . . . . 0.0 111.28 179.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.69 -36.3 83.41 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 118.826 0.739 . . . . 0.0 112.862 177.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.0 tp -69.56 -45.17 69.35 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.322 1.449 . . . . 0.0 111.602 174.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.4 t -62.84 -39.74 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 CA-C-N 120.341 1.428 . . . . 0.0 112.145 175.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -57.88 -39.92 78.97 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.007 0.523 . . . . 0.0 111.407 172.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -73.55 -51.38 17.16 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 118.755 0.707 . . . . 0.0 112.469 177.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.472 HD22 HG13 ' A' ' 73' ' ' VAL . 64.4 mt -51.81 -50.07 61.51 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.521 1.528 . . . . 0.0 112.139 -179.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -72.63 -27.12 61.95 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.482 -0.761 . . . . 0.0 112.658 179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -65.84 -40.08 91.4 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 118.332 -0.842 . . . . 0.0 111.95 171.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.7 mt -61.67 -39.93 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 119.88 1.218 . . . . 0.0 109.69 172.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -56.76 -50.12 73.21 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 118.915 -0.564 . . . . 0.0 111.736 174.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -61.53 -47.37 85.9 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.409 1.083 . . . . 0.0 112.268 179.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -64.34 -47.53 79.02 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.482 0.713 . . . . 0.0 111.54 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -73.05 -28.8 62.54 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 118.162 -0.923 . . . . 0.0 111.97 178.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.3 mt -55.42 -42.36 74.03 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 120.522 1.51 . . . . 0.0 111.447 165.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.98 -39.76 83.23 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.684 0.675 . . . . 0.0 111.629 175.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -63.33 -38.99 93.3 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.434 1.015 . . . . 0.0 111.43 176.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.9 mt -77.89 -39.44 25.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 125.529 1.531 . . . . 0.0 111.855 -174.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.417 ' HA ' ' HD2' ' A' ' 5' ' ' ARG . 9.3 p -67.5 -38.22 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 O-C-N 120.53 -1.356 . . . . 0.0 112.327 175.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -86.21 6.04 31.39 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.401 1.881 . . . . 0.0 113.158 -177.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.1 m -83.84 117.21 23.15 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 120.356 -1.465 . . . . 0.0 112.09 178.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.5 t -85.8 8.6 19.38 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.3 m -141.66 112.91 7.5 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.861 1.264 . . . . 0.0 112.431 -164.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.414 ' HB3' ' HA ' ' A' ' 1' ' ' LEU . 19.4 pt-20 -71.35 -26.64 62.9 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -177.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.9 p -71.73 -21.01 61.82 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.922 1.289 . . . . 0.0 114.17 169.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -86.28 -44.34 12.21 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.866 0.866 . . . . 0.0 110.236 171.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.7 mt -49.54 -40.43 38.16 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.925 1.69 . . . . 0.0 113.631 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -62.97 -30.32 71.49 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 177.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.1 mm -77.8 -36.52 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 O-C-N 120.931 -1.105 . . . . 0.0 111.978 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.55 -27.97 52.09 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 118.665 0.666 . . . . 0.0 111.848 174.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 28.8 mtm -60.33 -55.04 38.45 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.828 0.851 . . . . 0.0 112.086 172.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 45.5 mtm -73.03 -33.47 65.75 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.777 1.231 . . . . 0.0 112.349 -175.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -62.84 -52.67 62.22 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.509 0.595 . . . . 0.0 112.169 170.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.3 t -61.48 -44.14 97.62 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.634 -0.426 . . . . 0.0 109.876 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -57.67 -44.55 85.81 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.17 0.988 . . . . 0.0 112.485 177.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.1 m -61.87 -44.81 96.05 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.352 0.661 . . . . 0.0 112.084 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -72.95 -31.92 64.9 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.404 0.891 . . . . 0.0 113.404 -177.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.472 HG13 HD22 ' A' ' 42' ' ' LEU . 97.3 t -66.66 -40.41 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.664 1.186 . . . . 0.0 110.579 173.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -72.94 -35.93 67.08 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.826 0.85 . . . . 0.0 112.506 175.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -64.94 -39.1 92.98 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.936 -1.102 . . . . 0.0 112.274 173.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.68 -40.73 93.22 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.727 0.811 . . . . 0.0 111.793 174.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.94 -51.52 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-O 118.992 -0.528 . . . . 0.0 110.298 170.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.11 -17.67 64.43 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -175.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -75.52 -55.78 5.34 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.887 1.275 . . . . 0.0 111.962 165.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -72.58 -30.61 64.54 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -174.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.67 -5.3 52.67 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -175.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt . . . . . 0 C--O 1.253 1.259 0 C-N-CA 127.408 2.283 . . . . 0.0 114.571 -164.961 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 10.7 mp . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -19.82 -61.13 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 130.147 3.379 . . . . 0.0 114.951 149.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 p -46.09 -51.45 13.85 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.44 1.896 . . . . 0.0 113.103 170.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -66.33 -38.34 87.42 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.327 1.451 . . . . 0.0 112.732 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -76.58 -12.27 59.99 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 175.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -79.48 -48.31 14.13 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.936 0.894 . . . . 0.0 110.977 169.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -62.81 -40.52 97.62 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.104 0.866 . . . . 0.0 111.135 173.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.22 -44.62 96.17 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.624 0.77 . . . . 0.0 112.855 -175.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -66.81 -31.2 71.67 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.758 -0.589 . . . . 0.0 111.598 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -44.37 71.61 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.801 1.241 . . . . 0.0 111.41 171.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -57.78 -47.65 81.92 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.163 0.985 . . . . 0.0 111.622 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 m -77.64 -27.45 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 121.234 -0.916 . . . . 0.0 113.464 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.16 -55.71 28.14 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.129 0.877 . . . . 0.0 110.993 164.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -69.66 -35.76 75.44 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-O 118.775 -0.631 . . . . 0.0 112.009 -175.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -64.34 -42.21 96.37 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.407 1.003 . . . . 0.0 112.047 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.466 HG11 ' HE2' ' A' ' 46' ' ' LYS . 16.3 t -62.26 -48.53 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 O-C-N 121.161 -0.962 . . . . 0.0 111.541 174.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -70.61 -32.33 69.64 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 120.144 1.338 . . . . 0.0 113.066 -178.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -62.51 -44.57 96.04 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.727 1.611 . . . . 0.0 111.143 175.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.9 mm -80.49 -32.98 13.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.793 1.237 . . . . 0.0 111.317 -176.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.7 t -56.21 -48.7 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-O 118.465 -0.778 . . . . 0.0 109.908 162.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.63 -47.62 83.32 Favored Glycine 0 CA--C 1.535 1.292 0 CA-C-N 119.461 1.028 . . . . 0.0 113.332 175.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -58.09 -37.43 74.5 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.901 -0.764 . . . . 0.0 112.436 173.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.0 p -65.09 -31.87 73.29 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.857 1.208 . . . . 0.0 113.18 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -80.21 -27.31 38.85 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.97 0.908 . . . . 0.0 111.866 173.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.46 -37.61 65.73 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.431 0.692 . . . . 0.0 112.797 172.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -77.81 -31.25 51.62 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.969 0.908 . . . . 0.0 112.807 175.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.7 m -77.09 174.97 10.07 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.481 0.713 . . . . 0.0 112.077 173.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.6 p -118.09 168.38 10.6 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 155.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -45.45 -37.87 5.6 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.096 1.359 . . . . 0.0 112.941 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -56.93 -29.33 63.02 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.589 1.155 . . . . 0.0 113.276 -177.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -100.32 25.64 7.4 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.746 1.219 . . . . 0.0 114.027 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -51.37 -30.13 17.81 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 121.351 -0.843 . . . . 0.0 113.181 170.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -14.71 63.17 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.963 1.705 . . . . 0.0 113.541 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.8 mm -102.44 -43.16 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.781 1.232 . . . . 0.0 110.985 174.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.2 p -60.73 -41.28 95.03 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.756 0.707 . . . . 0.0 111.982 177.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.0 p -56.98 -35.81 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 119.221 0.919 . . . . 0.0 113.158 176.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.3 -46.97 46.52 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.487 -0.758 . . . . 0.0 111.487 176.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.4 tp -64.14 -33.19 75.21 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.204 0.602 . . . . 0.0 112.199 176.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.8 t -60.92 -48.73 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.814 1.246 . . . . 0.0 111.108 171.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -70.43 -26.0 63.46 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -76.49 -47.72 21.94 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.667 1.121 . . . . 0.0 112.501 169.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.403 ' HB3' HG13 ' A' ' 16' ' ' VAL . 76.3 mt -61.63 -36.03 79.61 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 120.409 -1.432 . . . . 0.0 111.911 -179.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -66.84 -33.8 76.39 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.374 -0.829 . . . . 0.0 112.572 170.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -65.4 -45.09 85.36 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 120.064 1.302 . . . . 0.0 111.042 174.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.5 mt -60.06 -36.0 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.132 0.573 . . . . 0.0 111.246 172.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.466 ' HE2' HG11 ' A' ' 16' ' ' VAL . 18.2 ttmt -57.52 -55.91 28.73 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.25 -0.907 . . . . 0.0 111.58 173.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -64.24 -39.07 93.2 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.612 0.642 . . . . 0.0 111.467 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -53.98 -47.16 71.7 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.466 1.107 . . . . 0.0 111.169 172.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -82.73 -34.2 27.27 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.3 mt -57.49 -43.69 84.35 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.61 1.095 . . . . 0.0 110.756 171.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -64.42 -37.45 87.55 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.159 0.983 . . . . 0.0 112.596 173.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -65.92 -36.64 83.93 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 120.793 -1.192 . . . . 0.0 112.111 173.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 57.5 mt -72.26 -34.61 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.199 1.399 . . . . 0.0 112.228 -174.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -70.03 -27.85 34.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 O-C-N 121.084 -1.01 . . . . 0.0 112.954 170.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -91.31 -23.94 19.97 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -177.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.9 t -59.55 135.26 57.61 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.8 1.24 . . . . 0.0 113.16 -169.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.4 t -82.66 -19.21 38.64 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -163.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.2 m -145.92 143.4 29.52 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.108 1.363 . . . . 0.0 111.703 -173.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.35 -43.46 43.85 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.709 1.204 . . . . 0.0 113.336 164.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 99.4 p -71.42 -7.25 46.08 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -97.79 -42.52 7.55 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.659 1.184 . . . . 0.0 110.854 166.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.6 mt -54.5 -42.73 71.13 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.449 1.5 . . . . 0.0 113.579 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -61.18 -30.45 70.42 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 175.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.1 mm -82.45 -31.96 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 O-C-N 121.067 -1.02 . . . . 0.0 111.769 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -53.41 -33.9 55.68 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.424 1.011 . . . . 0.0 111.45 169.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 21.1 mtm -61.68 -48.57 80.19 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.452 0.569 . . . . 0.0 111.466 173.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.1 mmt -70.81 -35.01 72.32 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.389 1.076 . . . . 0.0 112.385 -176.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -77.32 -32.22 55.11 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.225 -0.922 . . . . 0.0 112.874 177.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.5 p -58.29 -45.9 87.07 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.652 -0.655 . . . . 0.0 111.057 163.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -60.48 -43.83 96.57 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.982 1.313 . . . . 0.0 111.013 177.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.8 t -57.08 -47.52 80.82 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.35 1.86 . . . . 0.0 113.174 172.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -77.15 -24.0 51.59 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 120.584 -1.323 . . . . 0.0 113.82 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.2 t -66.84 -43.15 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 123.816 0.846 . . . . 0.0 110.681 167.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -64.93 -37.18 86.79 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.615 0.643 . . . . 0.0 112.325 174.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -59.35 -43.73 92.76 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.387 -0.821 . . . . 0.0 111.825 169.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.15 80.96 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.571 -0.706 . . . . 0.0 112.478 177.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.0 t -59.62 -52.08 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.448 -0.783 . . . . 0.0 110.285 174.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.4 t -64.45 -32.2 73.73 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.192 0.451 . . . . 0.0 112.017 -177.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -64.15 -49.12 73.39 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.156 0.982 . . . . 0.0 112.915 170.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -87.8 -21.28 25.18 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -171.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.55 -21.29 55.87 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.632 1.105 . . . . 0.0 113.234 174.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 50.9 mttm . . . . . 0 C--O 1.251 1.179 0 CA-C-O 116.447 -1.74 . . . . 0.0 114.329 179.222 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.07 -44.13 55.26 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.243 1.417 . . . . 0.0 112.685 -172.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.2 p -69.88 -26.2 64.06 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.702 0.401 . . . . 0.0 111.234 169.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.87 -43.43 71.85 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 174.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -66.31 -29.44 69.65 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 122.106 -0.371 . . . . 0.0 110.897 171.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.59 -45.81 81.8 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.127 1.371 . . . . 0.0 112.701 172.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.0 mttm -64.9 -46.68 80.69 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.71 0.804 . . . . 0.0 110.73 173.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.03 -46.37 89.46 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.999 0.919 . . . . 0.0 111.996 -176.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -44.17 97.08 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.936 0.789 . . . . 0.0 111.605 173.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.3 tptt -68.93 -38.24 79.39 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -172.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -58.52 -46.54 86.53 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.254 1.422 . . . . 0.0 111.799 174.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.4 m -78.33 -31.93 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 121.687 -0.633 . . . . 0.0 112.443 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -63.44 -43.39 97.55 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 118.55 -0.738 . . . . 0.0 111.825 169.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.12 -28.69 61.46 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.718 1.145 . . . . 0.0 112.79 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -67.05 -44.65 79.64 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.161 0.891 . . . . 0.0 111.46 173.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.2 t -62.38 -46.36 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 O-C-N 120.927 -1.108 . . . . 0.0 110.759 170.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -56.23 -45.16 80.07 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.451 1.023 . . . . 0.0 112.306 177.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -59.45 -60.05 4.47 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 124.2 1.0 . . . . 0.0 108.715 175.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.573 HG21 HG21 ' A' ' 77' ' ' VAL 0.33 12.2 mt -73.52 -24.01 19.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 118.711 0.687 . . . . 0.0 112.824 -166.607 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.7 t -61.49 -49.64 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 O-C-N 120.667 -1.271 . . . . 0.0 111.651 163.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.16 -36.2 91.51 Favored Glycine 0 CA--C 1.534 1.242 0 O-C-N 121.545 -0.722 . . . . 0.0 113.464 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.9 -37.41 78.97 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.938 1.295 . . . . 0.0 111.838 175.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.0 t -59.96 -43.91 94.77 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 118.923 -0.561 . . . . 0.0 110.802 175.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -65.38 -38.83 91.18 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.551 1.069 . . . . 0.0 112.622 172.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.26 -9.97 20.79 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 174.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -129.65 27.9 5.2 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.458 1.503 . . . . 0.0 114.58 173.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.3 133.12 32.65 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 178.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.1 p -97.43 169.93 9.41 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.765 1.626 . . . . 0.0 112.197 -175.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -57.51 -36.11 71.13 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 120.6 -1.313 . . . . 0.0 113.74 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -6.87 43.36 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.076 1.35 . . . . 0.0 113.353 174.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -110.15 -4.27 15.88 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.089 1.755 . . . . 0.0 114.134 175.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -45.75 -40.07 9.01 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.641 1.576 . . . . 0.0 114.459 -174.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -34.43 77.72 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.005 1.322 . . . . 0.0 113.309 178.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.9 mt -77.64 -38.87 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.592 1.157 . . . . 0.0 109.535 173.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.2 -48.07 83.27 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.581 0.752 . . . . 0.0 111.374 177.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.5 p -62.54 -44.32 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 CA-C-O 118.297 -0.859 . . . . 0.0 111.211 175.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.83 94.74 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.176 0.898 . . . . 0.0 111.704 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.7 tp -63.47 -43.91 95.97 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.629 0.65 . . . . 0.0 112.336 175.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.19 -41.12 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 O-C-N 121.154 -0.966 . . . . 0.0 111.885 178.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -38.53 91.4 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.33 1.052 . . . . 0.0 111.954 175.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -63.23 -48.56 77.74 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.108 0.563 . . . . 0.0 110.349 172.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.9 mt -61.22 -37.91 84.72 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.081 -1.012 . . . . 0.0 112.993 178.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -64.26 -35.98 82.58 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 118.756 -0.64 . . . . 0.0 111.57 172.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -68.23 -44.08 76.51 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.648 1.113 . . . . 0.0 109.493 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.3 mt -56.87 -45.73 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 123.999 0.92 . . . . 0.0 111.182 171.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -59.31 -52.3 66.25 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.39 0.541 . . . . 0.0 111.157 177.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -60.38 -46.35 90.28 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.494 0.717 . . . . 0.0 111.252 -178.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -59.97 -52.02 67.18 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.189 0.596 . . . . 0.0 112.263 178.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.413 ' CD2' ' HB3' ' A' ' 69' ' ' SER . 25.8 m-85 -73.32 -28.87 62.31 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 118.071 -0.966 . . . . 0.0 111.436 -175.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 64.7 mt -59.33 -39.35 82.86 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.14 1.336 . . . . 0.0 112.218 165.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -27.71 69.43 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.533 -0.729 . . . . 0.0 112.016 173.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -80.23 -29.44 38.46 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.212 1.405 . . . . 0.0 112.63 171.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.7 mm -62.53 -50.95 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 119.483 1.038 . . . . 0.0 111.154 172.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.5 p -69.69 -40.28 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.847 -0.533 . . . . 0.0 111.94 -174.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -81.88 8.56 10.01 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 176.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.0 t -73.48 130.04 39.25 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 119.678 -1.889 . . . . 0.0 111.789 171.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.2 p -95.32 -5.1 44.27 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.422 1.489 . . . . 0.0 112.887 165.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.6 t -127.44 123.07 35.18 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.896 1.678 . . . . 0.0 111.386 -165.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -28.12 57.78 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.536 -0.728 . . . . 0.0 112.464 175.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 p -65.03 -47.03 78.85 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.845 0.858 . . . . 0.0 111.172 169.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -59.48 -42.08 91.26 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.995 1.27 . . . . 0.0 112.223 173.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.2 mt -57.22 -36.52 70.98 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -177.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -71.74 -39.05 70.33 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 118.972 -0.537 . . . . 0.0 111.948 176.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.1 mm -69.71 -34.73 62.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 119.852 1.205 . . . . 0.0 111.656 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.4 mt -57.0 -26.64 60.58 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.4 -0.813 . . . . 0.0 112.824 174.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 37.5 mtm -63.65 -48.5 76.97 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.318 0.963 . . . . 0.0 111.511 171.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -70.48 -38.87 74.47 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.549 0.74 . . . . 0.0 111.717 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -68.9 -42.29 77.07 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.561 -0.712 . . . . 0.0 112.868 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.413 ' HB3' ' CD2' ' A' ' 49' ' ' TYR . 72.8 p -67.68 -40.11 84.44 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 118.667 -0.682 . . . . 0.0 112.523 172.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -57.55 -47.44 82.03 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.199 0.999 . . . . 0.0 111.083 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.3 t -57.58 -42.82 83.86 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 124.221 1.008 . . . . 0.0 111.523 175.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -68.35 -41.77 80.2 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.653 1.181 . . . . 0.0 113.973 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.74 -49.31 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 118.975 0.807 . . . . 0.0 109.619 173.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -75.34 -11.94 60.16 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.511 0.724 . . . . 0.0 112.65 -178.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -73.78 -53.75 9.59 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.423 1.489 . . . . 0.0 110.138 167.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.87 92.01 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.111 0.565 . . . . 0.0 110.652 177.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.573 HG21 HG21 ' A' ' 19' ' ' ILE . 96.5 t -68.28 -48.02 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-O 118.139 -0.934 . . . . 0.0 111.308 -177.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.6 t -65.05 -24.66 67.53 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.889 1.222 . . . . 0.0 112.867 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -79.6 -42.8 24.17 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.802 1.241 . . . . 0.0 113.271 172.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -78.91 -34.82 44.35 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.641 0.776 . . . . 0.0 112.863 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -76.55 -1.01 25.31 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -175.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp . . . . . 0 C--O 1.247 0.964 0 C-N-CA 127.405 2.282 . . . . 0.0 111.925 -169.14 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 92.6 mt . . . . . 0 N--CA 1.483 1.192 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -50.19 -43.01 52.28 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 127.566 2.346 . . . . 0.0 114.538 -175.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.71 -39.68 76.74 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.101 1.361 . . . . 0.0 111.264 177.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.407 ' OE2' ' HE3' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -65.28 -47.83 75.31 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.172 1.389 . . . . 0.0 110.619 -179.644 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.507 ' HG3' HH11 ' A' ' 5' ' ' ARG . 2.2 ptt85 -63.86 -26.81 68.78 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.948 -1.095 . . . . 0.0 112.88 175.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.89 -41.16 78.65 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.995 1.318 . . . . 0.0 111.942 175.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.407 ' HE3' ' OE2' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -76.22 -36.58 58.51 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.123 -0.986 . . . . 0.0 112.746 171.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.24 -45.96 89.15 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.426 1.09 . . . . 0.0 112.284 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -61.47 -42.2 98.42 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.619 0.645 . . . . 0.0 111.465 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -66.23 -39.93 89.91 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 118.908 -0.568 . . . . 0.0 111.554 -176.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 -60.45 -45.56 93.25 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 175.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.4 m -71.91 -32.58 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -62.03 -47.12 86.15 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.791 1.178 . . . . 0.0 111.824 168.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -56.87 -45.35 82.56 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.471 1.032 . . . . 0.0 112.366 172.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -60.74 -46.85 88.86 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.956 0.798 . . . . 0.0 111.486 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.6 t -57.48 -53.21 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.023 0.929 . . . . 0.0 111.309 171.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -64.18 -35.16 79.88 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.888 0.875 . . . . 0.0 112.233 -175.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -70.53 -41.61 72.32 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.593 1.557 . . . . 0.0 110.699 176.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.6 mm -69.39 -32.67 54.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 124.356 1.062 . . . . 0.0 112.535 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.9 t -58.66 -42.81 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 O-C-N 120.8 -1.188 . . . . 0.0 110.578 166.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.88 -46.91 93.15 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 123.541 0.591 . . . . 0.0 113.044 173.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -56.07 -39.78 72.57 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.381 1.072 . . . . 0.0 113.055 176.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.7 t -72.05 -33.83 68.27 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 118.205 -0.902 . . . . 0.0 112.731 177.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -68.29 -34.34 75.98 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.754 1.161 . . . . 0.0 111.39 169.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.98 -1.24 1.92 Allowed 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 173.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -131.1 9.09 4.8 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 163.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.0 p -73.66 162.77 28.83 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -170.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.6 m -138.93 135.56 34.53 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.241 1.416 . . . . 0.0 110.005 -170.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -43.32 -60.05 1.86 Allowed 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 125.263 1.425 . . . . 0.0 111.481 177.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.3 tptt -74.13 15.38 0.32 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.511 1.524 . . . . 0.0 114.732 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 82.5 mmt-85 -131.49 11.62 4.9 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.84 1.656 . . . . 0.0 113.713 172.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -47.12 -38.14 11.02 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.118 1.367 . . . . 0.0 114.031 178.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -30.76 71.4 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.711 -1.243 . . . . 0.0 112.983 179.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.0 mt -83.75 -36.76 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 124.042 0.937 . . . . 0.0 110.982 -177.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.1 p -63.95 -41.26 97.64 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.499 1.045 . . . . 0.0 111.098 168.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.4 t -57.76 -44.72 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-O 118.654 -0.689 . . . . 0.0 111.342 170.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.0 89.48 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.735 1.152 . . . . 0.0 113.752 177.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.9 tp -68.28 -41.43 81.02 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.448 -0.783 . . . . 0.0 111.684 173.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.9 t -64.35 -34.77 71.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 O-C-N 121.083 -1.011 . . . . 0.0 111.662 174.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -60.63 -32.03 71.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.027 0.931 . . . . 0.0 112.559 174.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -82.47 -46.47 13.41 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.144 0.884 . . . . 0.0 111.748 170.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.8 mt -53.26 -44.88 68.53 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 120.674 -1.266 . . . . 0.0 113.248 -176.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -71.57 -28.86 64.13 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 175.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -69.21 -43.62 73.75 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.712 0.805 . . . . 0.0 111.045 178.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.3 mt -60.22 -43.14 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 118.749 0.704 . . . . 0.0 109.458 170.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -59.04 -48.22 82.38 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 118.915 -0.564 . . . . 0.0 112.047 178.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -60.41 -53.25 59.79 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.376 1.07 . . . . 0.0 111.747 176.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -55.84 -44.3 77.84 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.758 1.223 . . . . 0.0 111.185 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.405 ' CD2' ' HB2' ' A' ' 69' ' ' SER . 12.5 m-85 -81.17 -33.09 33.31 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-O 117.576 -1.202 . . . . 0.0 113.361 -178.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.4 mt -54.06 -45.04 71.59 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.695 1.589 . . . . 0.0 110.517 167.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -64.75 -43.05 94.58 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 176.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -70.58 -34.35 72.1 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 118.728 0.695 . . . . 0.0 112.036 -179.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.2 mt -71.93 -39.71 67.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.912 1.285 . . . . 0.0 111.312 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 p -73.26 -23.54 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 O-C-N 121.062 -1.024 . . . . 0.0 112.879 174.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -86.45 -2.74 58.71 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.738 1.615 . . . . 0.0 113.635 171.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 t -71.35 -30.15 65.83 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 116.49 2.033 . . . . 0.0 116.49 -159.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.1 p 48.97 -21.61 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 120.561 3.541 . . . . 0.0 120.561 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.9 t -104.86 132.11 51.52 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 121.102 1.774 . . . . 0.0 110.679 171.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -67.11 -36.25 81.52 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.791 0.836 . . . . 0.0 111.335 172.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.0 m -76.05 -14.09 60.21 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.897 0.879 . . . . 0.0 113.038 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -89.94 -41.4 11.78 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.219 0.918 . . . . 0.0 112.127 162.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.6 mt -51.73 -42.28 62.18 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.444 1.098 . . . . 0.0 113.015 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -60.63 -25.84 66.59 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 178.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.5 mm -86.07 -34.6 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 C-N-CA 124.851 1.26 . . . . 0.0 112.882 177.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.54 -29.71 26.79 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.87 1.214 . . . . 0.0 112.305 176.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 64.0 mtm -60.5 -55.08 37.79 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 171.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 35.8 mtm -68.34 -34.11 75.5 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.333 1.053 . . . . 0.0 111.843 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -66.03 -46.35 78.17 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.194 0.998 . . . . 0.0 112.977 175.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.405 ' HB2' ' CD2' ' A' ' 49' ' ' TYR . 44.5 t -65.49 -43.7 89.37 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.089 0.859 . . . . 0.0 111.19 173.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 -57.54 -42.27 82.61 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.112 0.965 . . . . 0.0 112.307 178.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.5 t -59.74 -54.13 49.94 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.398 1.479 . . . . 0.0 111.997 171.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -59.78 -35.6 74.98 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.55 1.068 . . . . 0.0 112.732 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.3 t -70.03 -47.2 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.296 1.039 . . . . 0.0 111.92 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.08 -45.91 91.44 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.42 0.554 . . . . 0.0 110.856 173.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -59.07 -36.39 75.0 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.355 1.062 . . . . 0.0 112.332 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.33 -46.67 69.6 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.188 0.995 . . . . 0.0 112.418 175.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.4 t -58.25 -49.55 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 119.443 1.02 . . . . 0.0 109.859 172.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.5 t -58.89 -26.89 64.71 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 127.311 2.245 . . . . 0.0 113.899 177.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -76.42 -38.72 55.15 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.662 1.585 . . . . 0.0 112.24 174.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -87.56 -33.59 18.86 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -20.13 61.73 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.039 -1.038 . . . . 0.0 113.483 176.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp . . . . . 0 C--O 1.246 0.9 0 C-N-CA 127.135 2.174 . . . . 0.0 110.269 171.698 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -56.4 -52.39 64.8 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -161.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 p -67.88 -22.17 65.12 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -78.66 -53.35 7.26 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.611 1.165 . . . . 0.0 110.945 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -25.58 67.03 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.684 -0.635 . . . . 0.0 112.164 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.66 -41.75 87.71 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.488 -0.758 . . . . 0.0 112.943 172.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -63.35 -41.22 98.84 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.461 -0.774 . . . . 0.0 110.433 172.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.79 -44.69 93.83 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.958 0.503 . . . . 0.0 112.332 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -69.88 -38.2 76.3 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.075 0.852 . . . . 0.0 113.013 174.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -65.63 -38.68 90.07 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.466 1.03 . . . . 0.0 112.799 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -57.82 -43.65 85.91 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.213 1.005 . . . . 0.0 112.074 174.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.6 m -83.31 -32.13 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.561 -0.712 . . . . 0.0 112.854 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -56.34 -49.31 74.72 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.948 1.299 . . . . 0.0 111.432 168.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.46 -35.35 77.44 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.419 0.554 . . . . 0.0 111.856 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.06 -46.26 81.93 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.771 0.714 . . . . 0.0 111.462 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.8 t -58.66 -53.05 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.68 0.792 . . . . 0.0 111.174 175.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -66.96 -32.59 73.93 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 120.441 1.473 . . . . 0.0 113.492 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -69.13 -43.41 74.45 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.737 1.215 . . . . 0.0 110.546 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.2 mt -78.59 -30.66 15.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 124.077 0.951 . . . . 0.0 112.43 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 37.7 t -58.08 -45.86 88.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-N 119.424 1.011 . . . . 0.0 110.501 162.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.71 -40.83 99.68 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 121.556 -0.715 . . . . 0.0 113.796 177.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -69.55 -31.91 70.4 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.374 1.087 . . . . 0.0 112.651 174.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.8 t -60.85 -47.34 86.79 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.327 -0.858 . . . . 0.0 110.989 169.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -61.48 -34.63 75.8 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.197 -0.939 . . . . 0.0 112.773 170.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.0 -29.56 69.43 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.228 -0.92 . . . . 0.0 113.432 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -97.99 -14.33 20.63 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 173.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.5 m -71.76 163.44 27.79 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.273 1.429 . . . . 0.0 113.813 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.9 p -133.26 160.21 37.95 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.504 1.922 . . . . 0.0 110.364 171.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -54.54 -41.36 69.65 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 121.302 -0.874 . . . . 0.0 113.316 -177.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -54.4 -45.48 72.93 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.695 0.68 . . . . 0.0 111.485 176.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -89.03 10.52 21.31 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.986 1.714 . . . . 0.0 115.569 -172.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 54.5 t60 -58.08 -25.76 61.7 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -176.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.1 m -55.09 -38.19 67.79 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 120.923 -1.111 . . . . 0.0 112.308 172.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.4 mm -75.46 -40.51 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.087 1.355 . . . . 0.0 110.24 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.6 m -56.75 -46.79 81.2 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.289 0.636 . . . . 0.0 110.646 173.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.4 t -69.0 -38.83 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.669 0.787 . . . . 0.0 112.174 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.27 -44.06 97.85 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.255 0.934 . . . . 0.0 111.654 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.9 tp -68.57 -39.54 80.97 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 118.607 -0.711 . . . . 0.0 111.97 175.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.1 t -57.88 -47.59 85.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 CA-C-N 120.257 1.389 . . . . 0.0 111.372 172.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -61.13 -35.73 77.83 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.443 0.697 . . . . 0.0 112.235 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -72.8 -48.3 39.26 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.742 0.701 . . . . 0.0 112.314 173.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.3 mt -58.7 -37.96 77.24 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.636 1.174 . . . . 0.0 112.449 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -65.77 -32.91 74.71 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.889 0.876 . . . . 0.0 112.906 171.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -66.45 -41.08 89.63 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.332 1.053 . . . . 0.0 110.643 176.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.1 mt -63.21 -49.78 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 O-C-N 121.984 -0.447 . . . . 0.0 110.059 172.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -54.38 -43.97 71.84 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.433 0.561 . . . . 0.0 111.074 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -63.27 -54.62 34.31 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.096 1.758 . . . . 0.0 113.946 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.4 -47.95 82.21 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.261 0.937 . . . . 0.0 110.862 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -75.22 -31.27 60.83 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 117.786 -1.102 . . . . 0.0 111.482 -173.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.1 mt -53.89 -46.72 71.47 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 120.2 1.363 . . . . 0.0 111.728 164.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -66.09 -42.26 89.54 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.923 0.783 . . . . 0.0 111.821 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -65.9 -30.55 71.16 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.037 -1.039 . . . . 0.0 111.747 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 76.7 mt -79.31 -38.84 20.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 125.435 1.494 . . . . 0.0 111.788 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.1 p -80.77 -6.56 9.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 O-C-N 120.96 -1.088 . . . . 0.0 113.407 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -118.14 1.71 11.96 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.771 1.628 . . . . 0.0 113.469 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.1 t -71.06 130.01 40.43 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 120.285 -1.51 . . . . 0.0 111.251 -176.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.96 -37.04 48.38 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.411 0.685 . . . . 0.0 111.184 165.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.5 m -95.33 117.49 30.4 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 125.178 1.391 . . . . 0.0 112.474 -171.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -71.06 -39.25 72.32 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.455 -0.778 . . . . 0.0 112.813 -177.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 95.9 p -65.36 -3.38 4.09 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 173.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -98.49 -24.97 14.93 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.359 1.063 . . . . 0.0 113.162 170.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 79.5 mt -57.78 -46.01 85.19 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.82 1.191 . . . . 0.0 110.862 174.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -62.93 -23.98 67.64 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 177.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.5 mm -87.45 -35.75 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 124.349 1.06 . . . . 0.0 113.207 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 54.8 mt -58.1 -26.11 62.19 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.436 1.016 . . . . 0.0 112.364 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 46.1 mtm -57.61 -46.55 83.93 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.161 0.984 . . . . 0.0 113.367 167.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 33.6 mtm -75.78 -42.76 49.27 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 118.304 -0.855 . . . . 0.0 111.306 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.62 -45.86 90.71 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.45 1.023 . . . . 0.0 112.195 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.3 t -65.04 -32.68 74.52 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 118.516 0.598 . . . . 0.0 112.097 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -65.83 -45.87 80.67 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.26 0.936 . . . . 0.0 111.411 173.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.7 m -59.55 -33.9 71.99 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.948 0.794 . . . . 0.0 112.161 173.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -67.37 -44.84 77.96 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 118.989 0.813 . . . . 0.0 112.121 173.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.9 t -64.56 -46.32 92.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 123.374 0.67 . . . . 0.0 110.71 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -62.56 -41.9 99.21 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.4 1.48 . . . . 0.0 111.745 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -64.56 -46.31 83.33 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 121.173 -0.955 . . . . 0.0 112.338 172.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.63 97.4 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.888 0.767 . . . . 0.0 111.878 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 68.0 t -59.23 -57.11 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 118.799 0.727 . . . . 0.0 109.941 169.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -61.05 -16.82 48.01 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -175.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.61 -46.86 9.71 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 127.554 2.342 . . . . 0.0 113.669 170.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -78.76 -6.07 54.93 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.78 -14.43 62.95 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.975 1.31 . . . . 0.0 114.021 170.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.321 0 N-CA-C 118.208 2.67 . . . . 0.0 118.208 -166.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 90.5 mt . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 118.046 -0.978 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -77.48 -36.09 53.06 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 121.746 2.066 . . . . 0.0 114.06 -163.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 p -66.34 -18.24 65.24 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.268 1.427 . . . . 0.0 114.081 169.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -98.16 -45.48 6.2 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 126.13 1.772 . . . . 0.0 109.713 -173.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -62.84 -29.89 71.08 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 124.085 0.954 . . . . 0.0 112.356 172.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -65.09 -38.52 91.01 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.729 1.15 . . . . 0.0 111.414 174.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -67.0 -44.31 80.68 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 111.466 0.173 . . . . 0.0 111.466 173.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.57 -40.31 96.63 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.435 ' HE ' ' CD2' ' A' ' 50' ' ' LEU . 6.8 ptm180 -65.7 -41.11 92.74 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.299 -0.876 . . . . 0.0 111.117 172.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -61.3 -41.4 96.92 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 118.633 -0.699 . . . . 0.0 111.645 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -57.51 -48.29 79.67 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 122.831 0.452 . . . . 0.0 112.173 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.0 m -72.07 -28.73 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 177.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -66.22 -35.73 81.19 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.051 1.296 . . . . 0.0 112.497 168.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.432 ' HA ' ' HE3' ' A' ' 17' ' ' LYS . 55.6 mt-10 -73.16 -38.47 66.21 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.15 -0.969 . . . . 0.0 112.316 175.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -66.41 -42.71 87.39 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.93 0.786 . . . . 0.0 112.004 173.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.7 t -60.27 -51.63 70.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-O 117.588 -1.196 . . . . 0.0 110.827 171.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 14' ' ' GLU . 11.2 ptpt -66.1 -33.15 75.12 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 121.463 1.938 . . . . 0.0 112.851 -177.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -60.17 -47.19 86.96 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.471 1.108 . . . . 0.0 110.259 172.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.6 mm -79.73 -31.23 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 123.601 0.76 . . . . 0.0 111.719 -173.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.7 t -61.3 -48.27 89.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.41 1.084 . . . . 0.0 109.995 165.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.85 -43.8 97.66 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 124.101 0.858 . . . . 0.0 113.008 175.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -60.51 -37.5 81.35 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.792 1.237 . . . . 0.0 113.037 172.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.5 p -57.57 -41.56 81.33 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.429 1.013 . . . . 0.0 111.816 -175.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -75.1 -38.02 61.3 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.067 0.947 . . . . 0.0 112.195 172.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.71 -29.01 69.99 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -80.69 -5.42 57.0 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 120.945 -1.097 . . . . 0.0 113.641 170.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.9 m -123.75 179.05 4.94 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.462 1.505 . . . . 0.0 112.977 -165.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.6 p -133.21 172.64 12.4 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.448 1.499 . . . . 0.0 109.953 174.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -59.54 -22.83 62.25 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 120.54 -1.35 . . . . 0.0 112.924 177.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -65.87 -22.73 66.55 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.338 1.455 . . . . 0.0 113.754 170.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -105.81 3.38 28.67 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 126.598 1.959 . . . . 0.0 114.021 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 -50.58 -38.71 46.94 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.563 1.945 . . . . 0.0 114.603 -169.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 m -74.97 -28.04 60.4 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.078 -1.014 . . . . 0.0 113.406 178.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.9 mt -70.34 -43.28 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.538 0.735 . . . . 0.0 109.36 173.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 p -61.51 -45.46 94.1 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 118.456 -0.783 . . . . 0.0 112.283 177.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.4 p -64.71 -30.68 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 CA-C-N 119.996 1.271 . . . . 0.0 112.444 177.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.94 -42.76 84.76 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 119.63 1.105 . . . . 0.0 113.091 174.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.6 tp -64.91 -37.5 87.85 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.256 -0.902 . . . . 0.0 111.571 171.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.1 t -71.11 -34.79 56.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 O-C-N 120.972 -1.08 . . . . 0.0 112.403 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -56.7 -40.85 76.35 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.758 0.823 . . . . 0.0 110.984 168.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -73.58 -42.76 61.15 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 123.345 0.658 . . . . 0.0 112.054 177.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.9 mt -59.15 -39.21 81.74 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 120.283 -1.51 . . . . 0.0 112.374 176.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -62.81 -35.71 80.77 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.581 0.752 . . . . 0.0 112.316 169.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -66.89 -43.89 82.29 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.524 0.73 . . . . 0.0 110.34 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.9 mt -60.76 -47.27 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 118.671 0.669 . . . . 0.0 110.276 171.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -53.22 -47.48 68.93 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.404 0.547 . . . . 0.0 111.581 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -77.17 -43.64 33.14 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.803 0.841 . . . . 0.0 112.493 -175.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -51.78 -45.06 63.66 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.536 0.734 . . . . 0.0 111.686 172.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -84.58 -31.04 24.54 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 117.964 -1.017 . . . . 0.0 112.804 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.435 ' CD2' ' HE ' ' A' ' 9' ' ' ARG . 7.6 mt -52.64 -47.61 66.95 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 120.866 1.666 . . . . 0.0 111.332 169.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -61.38 -41.92 97.87 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.123 0.569 . . . . 0.0 112.109 177.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -73.99 -21.21 60.08 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.069 0.948 . . . . 0.0 113.414 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.7 mt -84.98 -42.91 16.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 124.555 1.142 . . . . 0.0 110.948 175.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.8 p -68.49 -28.1 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 CA-C-N 119.92 1.236 . . . . 0.0 112.531 174.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -111.92 27.05 10.01 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 177.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.1 t -76.49 152.6 36.04 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.394 0.616 . . . . 0.0 109.871 162.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.6 t -121.54 -1.15 9.61 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.304 1.041 . . . . 0.0 113.049 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.6 m -130.05 126.58 38.0 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.792 1.637 . . . . 0.0 110.326 -176.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -70.57 -22.08 62.61 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.196 -0.94 . . . . 0.0 113.022 -172.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.2 p -60.28 -56.08 25.9 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 125.91 1.684 . . . . 0.0 111.174 166.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -62.79 -35.23 79.17 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.836 1.254 . . . . 0.0 112.445 -174.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.9 mt -51.35 -42.79 61.55 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.805 0.73 . . . . 0.0 111.996 172.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -75.41 -35.82 60.95 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.7 mm -70.4 -33.93 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 120.618 -1.301 . . . . 0.0 112.766 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.5 mt -55.68 -26.87 47.09 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.992 -1.067 . . . . 0.0 113.046 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 38.9 mtm -68.69 -21.66 64.41 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 172.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 33.9 mtm -98.68 -34.38 10.57 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 126.014 1.726 . . . . 0.0 111.884 177.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -65.86 -47.33 75.27 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.491 0.716 . . . . 0.0 112.056 172.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.1 t -60.21 -43.05 96.27 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.391 -0.818 . . . . 0.0 111.477 173.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.0 mtm180 -60.71 -39.39 88.4 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.188 -0.945 . . . . 0.0 113.234 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.6 m -55.4 -46.7 76.59 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.485 0.714 . . . . 0.0 111.418 171.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -70.95 -27.8 64.01 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.7 t -72.16 -41.2 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 120.999 -1.063 . . . . 0.0 111.084 172.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -62.58 -36.66 83.4 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.725 0.693 . . . . 0.0 111.41 171.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -62.2 -49.31 76.31 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.056 -1.027 . . . . 0.0 112.191 169.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.17 94.94 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.422 -0.799 . . . . 0.0 111.821 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.13 -54.36 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.268 0.627 . . . . 0.0 110.124 173.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.4 t -65.62 -19.23 65.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 117.94 -1.029 . . . . 0.0 113.452 -175.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -75.0 -57.43 3.91 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.722 1.609 . . . . 0.0 111.728 168.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -72.51 -22.37 61.05 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -171.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.12 -10.02 36.88 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.807 1.643 . . . . 0.0 115.133 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? . . . . . 0 C--O 1.251 1.139 0 C-N-CA 124.337 1.055 . . . . 0.0 113.151 177.655 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 N--CA 1.485 1.301 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -61.2 -30.34 70.36 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -177.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.5 p -81.94 -30.84 31.58 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.227 0.922 . . . . 0.0 112.203 170.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.3 -46.46 89.78 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.059 1.344 . . . . 0.0 111.567 174.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -24.57 60.94 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.444 0.698 . . . . 0.0 112.238 -177.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.25 -33.55 43.46 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.896 1.278 . . . . 0.0 113.92 176.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -77.13 -39.16 50.29 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.056 0.844 . . . . 0.0 111.912 169.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.31 -46.73 82.92 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.402 0.681 . . . . 0.0 112.54 175.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -65.78 -36.69 84.26 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.489 -0.757 . . . . 0.0 112.702 178.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -66.86 -41.46 87.3 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.92 0.888 . . . . 0.0 111.009 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -63.61 -45.04 92.12 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.237 0.615 . . . . 0.0 112.46 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.3 m -72.11 -29.4 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.11 -46.77 87.47 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.317 0.962 . . . . 0.0 110.647 165.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -63.79 -43.22 96.96 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 176.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -65.11 -45.38 85.39 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.836 0.743 . . . . 0.0 111.275 178.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 49.5 t -66.21 -49.32 76.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 117.85 -1.071 . . . . 0.0 111.435 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -62.59 -33.71 75.52 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.793 1.633 . . . . 0.0 112.274 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -67.58 -47.34 70.03 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.305 0.502 . . . . 0.0 110.037 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.9 mm -68.0 -31.71 53.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 C-N-CA 123.582 0.753 . . . . 0.0 111.508 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.4 t -61.77 -43.71 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.449 1.099 . . . . 0.0 111.607 168.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.6 -44.77 94.57 Favored Glycine 0 CA--C 1.534 1.269 0 CA-C-N 118.829 0.74 . . . . 0.0 112.804 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -62.74 -33.62 75.53 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.724 -0.868 . . . . 0.0 112.593 176.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.3 t -57.71 -44.12 85.7 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.67 1.188 . . . . 0.0 111.957 174.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -71.66 -40.53 69.59 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.107 -0.995 . . . . 0.0 112.292 171.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.25 -10.71 56.55 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.1 ptmm? -118.32 9.81 12.59 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.484 1.514 . . . . 0.0 114.929 176.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.0 p -126.42 -176.48 3.68 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.389 1.476 . . . . 0.0 110.741 171.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 p -129.89 165.19 22.55 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.124 -0.985 . . . . 0.0 110.937 174.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -50.22 -28.71 8.05 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.256 1.422 . . . . 0.0 113.482 174.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.3 -34.13 77.6 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.428 0.691 . . . . 0.0 112.408 177.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.8 mmm-85 -98.73 12.05 36.71 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.02 1.328 . . . . 0.0 113.518 -173.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -50.62 -33.01 20.61 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.718 1.607 . . . . 0.0 114.885 -166.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 36.1 m -60.95 -40.68 94.21 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.13 0.972 . . . . 0.0 113.058 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.6 mt -69.35 -41.95 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.708 0.803 . . . . 0.0 109.491 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m -60.23 -45.27 93.8 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.612 0.765 . . . . 0.0 111.021 175.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.2 t -64.41 -39.63 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 124.268 1.027 . . . . 0.0 112.098 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.3 87.0 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.322 0.965 . . . . 0.0 111.738 174.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.3 tp -64.48 -39.79 94.46 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.842 -0.536 . . . . 0.0 112.002 176.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.6 t -67.07 -38.22 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.156 0.983 . . . . 0.0 112.3 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -68.22 -34.84 77.0 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.599 -0.688 . . . . 0.0 111.882 173.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -73.17 -41.49 63.82 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.983 0.81 . . . . 0.0 112.202 175.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 mt -51.16 -41.37 60.11 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.185 1.394 . . . . 0.0 111.82 168.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -75.09 -23.75 58.04 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 174.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -67.55 -46.14 73.63 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 120.545 1.52 . . . . 0.0 109.624 170.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.2 mt -62.54 -42.08 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 123.065 0.546 . . . . 0.0 110.406 174.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -59.27 -49.16 78.92 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.227 0.922 . . . . 0.0 111.74 173.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.96 -49.84 67.85 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.288 1.435 . . . . 0.0 112.394 174.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -65.15 -40.93 95.04 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.937 0.895 . . . . 0.0 111.658 -176.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -85.48 -26.7 26.12 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.304 -0.855 . . . . 0.0 112.67 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 33.6 mt -58.21 -45.05 88.35 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 120.199 1.363 . . . . 0.0 110.918 163.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -59.34 -42.53 91.71 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.265 0.484 . . . . 0.0 111.504 174.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -68.29 -30.25 69.21 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.417 -0.802 . . . . 0.0 113.088 177.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.4 mt -85.37 -34.12 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 124.632 1.173 . . . . 0.0 111.572 -176.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.3 p -75.32 -41.14 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 121.099 -1.001 . . . . 0.0 111.498 169.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -97.98 25.52 5.96 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.782 1.233 . . . . 0.0 113.189 -176.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t -74.2 134.46 42.75 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 121.282 -0.886 . . . . 0.0 109.717 166.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 t -91.36 -7.26 51.38 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.788 0.835 . . . . 0.0 112.628 167.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.5 m -123.62 132.09 53.78 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.059 1.744 . . . . 0.0 111.274 -169.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -74.36 -57.7 3.77 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -172.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.5 m -68.6 -20.86 64.52 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.497 1.499 . . . . 0.0 112.56 -174.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -56.56 -34.69 67.35 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.482 1.113 . . . . 0.0 112.044 168.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.1 mt -57.89 -34.51 69.88 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.934 0.894 . . . . 0.0 111.984 174.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -75.47 -36.31 60.69 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 122.619 0.368 . . . . 0.0 111.262 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 20.0 mm -73.01 -34.75 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 O-C-N 121.1 -1.0 . . . . 0.0 112.083 177.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.1 mt -56.16 -25.98 48.61 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.959 0.904 . . . . 0.0 112.857 174.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 41.7 mtm -65.55 -43.41 89.97 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.149 0.886 . . . . 0.0 112.403 170.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 42.6 mtm -77.6 -36.15 52.12 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.139 -0.976 . . . . 0.0 112.156 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -64.95 -47.58 77.15 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 121.611 -0.681 . . . . 0.0 112.075 172.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.2 p -63.64 -37.27 86.71 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 118.851 -0.595 . . . . 0.0 112.334 176.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -56.81 -47.61 79.85 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.345 1.058 . . . . 0.0 111.819 170.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.3 t -65.25 -36.14 83.21 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.32 0.648 . . . . 0.0 112.414 177.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -69.49 -41.51 76.03 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.651 1.181 . . . . 0.0 112.087 176.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.2 -49.95 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.652 1.181 . . . . 0.0 111.139 172.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -72.82 -12.85 61.15 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -75.69 -44.44 42.2 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.12 -0.987 . . . . 0.0 112.039 165.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.49 -41.17 98.62 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.469 0.577 . . . . 0.0 110.863 175.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.7 t -58.12 -59.49 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 118.391 0.542 . . . . 0.0 110.241 169.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.1 t -50.17 -38.09 37.94 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.317 1.047 . . . . 0.0 113.534 -177.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -86.12 -38.21 18.0 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.33 1.052 . . . . 0.0 113.393 -177.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -71.72 -27.15 62.81 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 120.416 1.462 . . . . 0.0 112.701 174.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -61.19 -11.38 8.96 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.303 1.441 . . . . 0.0 114.33 173.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 92.5 mttt . . . . . 0 C--O 1.25 1.079 0 C-N-CA 126.329 1.851 . . . . 0.0 112.317 -175.316 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 113.348 0.869 . . . . 0.0 113.348 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.418 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 7.5 p-10 -45.94 -47.12 16.46 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 128.875 2.87 . . . . 0.0 114.804 171.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 p -61.48 -39.21 90.1 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.062 1.745 . . . . 0.0 111.727 173.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -71.52 -45.08 63.4 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.557 1.143 . . . . 0.0 111.841 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.418 ' HG3' ' HA ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER -68.84 -19.9 64.28 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.124 -0.985 . . . . 0.0 113.512 177.752 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -79.35 -45.01 20.43 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.165 0.586 . . . . 0.0 112.549 170.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -72.85 -37.87 67.25 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.286 -0.884 . . . . 0.0 112.514 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.56 98.62 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.915 1.286 . . . . 0.0 113.091 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.44 ' HB2' HD23 ' A' ' 50' ' ' LEU . 8.9 ptm85 -65.72 -34.81 79.05 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 118.942 -0.552 . . . . 0.0 111.29 174.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -61.69 -50.15 73.63 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 118.259 -0.876 . . . . 0.0 111.612 172.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -54.29 -44.17 71.71 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.05 0.94 . . . . 0.0 112.478 -176.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.8 m -68.98 -33.73 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 O-C-N 121.232 -0.917 . . . . 0.0 113.365 174.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -67.83 -31.62 71.59 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 120.963 -1.086 . . . . 0.0 113.139 170.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.9 -38.99 87.29 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.199 1.363 . . . . 0.0 111.413 173.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -74.57 -46.13 40.78 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.988 -0.445 . . . . 0.0 112.074 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.5 t -61.26 -43.86 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 120.939 -1.1 . . . . 0.0 111.075 176.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -65.68 -31.47 72.5 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 120.489 1.495 . . . . 0.0 113.197 178.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -64.72 -53.12 52.3 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 118.587 0.63 . . . . 0.0 109.686 175.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.5 mm -67.86 -37.45 78.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 124.086 0.955 . . . . 0.0 111.327 -175.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.8 t -61.79 -46.19 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 O-C-N 121.287 -0.883 . . . . 0.0 111.218 170.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.22 -44.55 97.55 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 118.763 0.71 . . . . 0.0 113.289 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -67.51 -36.0 80.19 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 117.776 0.788 . . . . 0.0 112.392 176.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.1 t -60.1 -48.8 80.22 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.403 1.081 . . . . 0.0 111.642 172.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.407 ' CE2' HG21 ' A' ' 39' ' ' VAL . 3.8 m-85 -62.42 -27.71 69.29 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.93 -32.96 26.93 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 176.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -86.81 -20.68 27.2 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 120.301 1.41 . . . . 0.0 113.578 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.1 t -49.06 149.28 1.99 Allowed 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 126.808 2.043 . . . . 0.0 112.287 164.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 62.0 m -154.26 152.99 30.95 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.88 1.272 . . . . 0.0 109.74 175.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -53.37 -26.1 18.02 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 116.28 1.955 . . . . 0.0 116.28 -169.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -66.02 -18.9 65.64 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.932 1.693 . . . . 0.0 113.789 173.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -130.91 19.55 5.02 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.969 1.707 . . . . 0.0 113.92 -173.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -57.18 -33.49 67.52 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -167.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.1 p -60.7 -38.01 83.6 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.539 1.136 . . . . 0.0 113.226 172.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.2 mt -69.19 -40.05 80.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 123.732 0.813 . . . . 0.0 110.038 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.6 m -59.2 -53.33 59.5 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.867 0.467 . . . . 0.0 110.912 174.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.5 p -65.58 -31.84 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 118.709 0.686 . . . . 0.0 111.99 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.94 -50.35 68.99 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.269 0.941 . . . . 0.0 112.514 172.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.0 tp -66.37 -35.58 80.7 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.959 0.8 . . . . 0.0 112.108 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.407 HG21 ' CE2' ' A' ' 24' ' ' TYR . 44.8 t -65.08 -39.13 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 121.226 -0.921 . . . . 0.0 111.806 175.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -67.27 -39.5 86.07 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 118.865 -0.588 . . . . 0.0 111.628 171.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -64.15 -42.04 96.93 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.132 0.878 . . . . 0.0 111.69 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.6 mt -57.1 -44.04 82.85 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.892 1.277 . . . . 0.0 112.374 172.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -72.49 -25.31 61.37 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 117.832 -1.08 . . . . 0.0 113.233 174.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -68.45 -48.34 64.79 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 126.618 1.967 . . . . 0.0 109.935 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.6 mt -62.36 -46.03 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.857 -0.527 . . . . 0.0 109.964 171.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -57.14 -49.22 76.59 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 118.607 0.639 . . . . 0.0 111.578 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -59.53 -49.22 78.61 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.777 2.031 . . . . 0.0 112.383 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -60.04 -50.6 73.09 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.386 1.074 . . . . 0.0 111.213 174.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -75.33 -33.18 61.11 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 120.83 -1.169 . . . . 0.0 112.414 -174.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.44 HD23 ' HB2' ' A' ' 9' ' ' ARG . 41.4 mt -53.82 -43.33 69.3 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.883 1.22 . . . . 0.0 110.745 166.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -70.07 -40.95 74.74 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.856 0.862 . . . . 0.0 112.268 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -66.26 -34.95 79.16 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 121.208 -0.932 . . . . 0.0 112.096 177.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 68.7 mt -74.36 -43.35 49.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 124.446 1.098 . . . . 0.0 111.092 -177.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.73 -33.57 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 119.688 1.131 . . . . 0.0 112.05 174.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -82.66 1.11 40.05 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 t -74.67 161.68 29.44 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 120.638 -1.289 . . . . 0.0 112.497 -174.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.6 t -109.89 -27.58 9.19 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -166.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.8 m -145.09 138.25 26.53 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.111 0.964 . . . . 0.0 112.571 -168.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -57.46 -33.72 68.26 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.247 1.819 . . . . 0.0 114.13 -177.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.9 p -59.71 -54.77 42.51 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.896 1.278 . . . . 0.0 111.985 172.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -68.82 -30.89 69.54 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.478 -0.764 . . . . 0.0 111.649 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.1 mt -59.58 -40.33 87.03 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.185 0.994 . . . . 0.0 112.568 171.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -64.88 -41.86 95.28 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 118.806 0.73 . . . . 0.0 111.666 172.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.4 mm -69.81 -34.1 59.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 O-C-N 120.597 -1.314 . . . . 0.0 112.283 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.2 mt -56.71 -27.37 58.9 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.456 0.909 . . . . 0.0 113.456 175.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 41.6 mtm -62.81 -52.51 62.88 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.512 0.596 . . . . 0.0 111.549 170.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 34.5 mtm -69.39 -36.13 76.47 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 124.129 0.971 . . . . 0.0 112.198 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -60.59 -50.78 72.17 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.033 0.833 . . . . 0.0 111.578 171.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.3 t -65.5 -36.25 83.28 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.593 -0.692 . . . . 0.0 111.57 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -67.22 -47.17 71.64 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.309 0.959 . . . . 0.0 112.507 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.0 t -55.04 -48.17 73.8 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.476 1.51 . . . . 0.0 110.876 173.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -72.5 -27.25 62.15 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.395 -0.816 . . . . 0.0 112.594 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.9 t -66.49 -46.78 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 119.372 0.987 . . . . 0.0 111.42 167.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -65.38 -31.1 72.03 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 122.963 0.505 . . . . 0.0 111.972 176.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -67.03 -39.17 86.96 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.442 1.097 . . . . 0.0 112.333 169.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.66 80.71 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 120.896 -1.128 . . . . 0.0 111.425 175.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.52 -54.55 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.264 0.625 . . . . 0.0 109.798 167.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.8 t -59.23 -39.65 83.41 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.097 0.862 . . . . 0.0 112.655 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -56.92 -32.58 66.09 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.838 1.655 . . . . 0.0 113.006 173.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -97.13 -27.66 14.47 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.532 1.133 . . . . 0.0 113.815 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -74.22 -20.66 60.11 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.408 1.083 . . . . 0.0 113.681 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.2 mttp . . . . . 0 C--O 1.247 0.966 0 C-N-CA 125.567 1.547 . . . . 0.0 113.178 178.247 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 N--CA 1.483 1.221 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.476 ' HA ' ' HG2' ' A' ' 5' ' ' ARG . 27.4 t70 -63.71 -38.12 89.91 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.955 1.302 . . . . 0.0 113.751 -174.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -74.49 -26.88 60.29 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.737 -1.227 . . . . 0.0 111.922 171.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -66.95 -43.32 83.46 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 120.375 -1.453 . . . . 0.0 111.783 172.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.476 ' HG2' ' HA ' ' A' ' 2' ' ' ASP . 6.5 ptp85 -67.67 -31.24 71.08 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 119.14 -0.457 . . . . 0.0 111.507 173.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -63.65 -48.74 76.0 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 124.13 0.972 . . . . 0.0 111.907 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -57.22 -46.27 83.07 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.75 0.82 . . . . 0.0 110.562 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.7 -47.6 77.77 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -63.94 -40.07 95.6 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.63 1.105 . . . . 0.0 111.961 179.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -63.35 -40.39 97.16 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.647 0.658 . . . . 0.0 112.537 177.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -68.16 -44.75 75.28 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 m -70.42 -31.13 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 175.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.69 -49.52 77.16 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 118.995 0.816 . . . . 0.0 110.656 168.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -60.67 -39.49 88.6 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 119.54 1.063 . . . . 0.0 112.902 174.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -63.51 -41.39 98.52 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.556 1.071 . . . . 0.0 111.911 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.6 t -68.64 -47.1 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 O-C-N 121.047 -1.033 . . . . 0.0 111.567 172.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -61.93 -31.77 72.12 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 120.397 1.453 . . . . 0.0 112.502 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -63.52 -55.95 19.93 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.941 1.296 . . . . 0.0 110.542 169.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.0 mm -72.33 -24.73 22.39 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 123.368 0.667 . . . . 0.0 112.436 -170.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.4 t -63.05 -45.59 98.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 O-C-N 120.587 -1.321 . . . . 0.0 110.926 164.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.7 -33.97 82.03 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.049 0.833 . . . . 0.0 113.8 176.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -61.26 -48.08 83.07 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 121.433 -1.039 . . . . 0.0 110.728 165.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.8 m -63.78 -34.89 78.91 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.118 -0.989 . . . . 0.0 112.955 -175.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -69.94 -39.09 76.29 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.396 -0.815 . . . . 0.0 112.765 170.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.05 -33.93 76.91 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.385 0.993 . . . . 0.0 113.183 174.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -84.53 12.92 6.13 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.933 2.093 . . . . 0.0 113.369 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.2 p -143.61 -157.12 0.75 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.281 1.032 . . . . 0.0 112.477 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -150.97 151.69 32.46 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.621 1.568 . . . . 0.0 109.253 -167.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -59.24 -39.66 83.47 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 120.102 -1.623 . . . . 0.0 112.461 174.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -58.98 -18.04 30.41 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.282 1.433 . . . . 0.0 113.447 170.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -111.87 8.93 20.59 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 127.866 2.466 . . . . 0.0 113.988 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.3 p-80 -52.3 -31.22 31.98 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -175.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.2 m -57.67 -37.74 73.93 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.601 1.091 . . . . 0.0 111.8 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.9 mm -72.93 -45.99 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 124.969 1.308 . . . . 0.0 109.547 177.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.87 -42.38 97.53 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.543 0.737 . . . . 0.0 111.622 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -61.88 -33.59 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.241 1.417 . . . . 0.0 111.502 177.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.21 -49.7 63.55 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.562 1.073 . . . . 0.0 112.061 172.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.8 tp -61.74 -36.97 82.54 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.401 0.68 . . . . 0.0 112.173 177.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.9 t -73.84 -34.34 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.35 1.06 . . . . 0.0 112.423 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -59.82 -42.44 93.52 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.352 0.524 . . . . 0.0 110.936 168.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -69.05 -44.2 73.12 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 122.661 0.384 . . . . 0.0 111.53 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.6 mt -55.86 -38.3 69.93 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 120.608 -1.308 . . . . 0.0 112.519 172.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -68.11 -36.7 80.18 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.459 -0.776 . . . . 0.0 112.814 170.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -67.38 -44.59 78.54 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.607 0.763 . . . . 0.0 109.819 -176.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 68.2 mt -61.86 -47.21 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 124.217 1.007 . . . . 0.0 110.637 173.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -55.69 -51.49 67.09 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 118.789 0.722 . . . . 0.0 111.449 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -85.35 -19.48 31.38 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -168.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -59.07 -54.62 44.95 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 157.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.403 ' CD2' ' HB3' ' A' ' 69' ' ' SER . 11.9 m-85 -68.97 -28.03 66.25 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 118.275 -0.869 . . . . 0.0 113.336 -175.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.3 mt -57.2 -36.32 70.7 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 120.137 1.335 . . . . 0.0 112.176 167.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -71.11 -46.03 62.5 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.252 0.933 . . . . 0.0 111.741 169.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.0 mtpt -61.95 -25.99 67.93 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 121.006 -1.059 . . . . 0.0 112.729 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.7 mt -92.05 -42.68 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 126.921 2.089 . . . . 0.0 111.571 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 p -65.95 -35.54 75.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.996 1.271 . . . . 0.0 111.625 174.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -85.74 7.02 25.24 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 176.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.427 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -80.97 151.43 28.49 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 122.216 1.007 . . . . 0.0 111.976 168.304 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.0 t -137.26 0.88 2.37 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.504 1.522 . . . . 0.0 112.689 -168.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 m -140.64 121.49 14.47 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.008 1.323 . . . . 0.0 111.72 -169.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -61.02 -44.38 97.5 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -172.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.9 m -71.1 -9.98 58.99 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -177.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -96.76 -40.2 9.08 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.434 1.093 . . . . 0.0 111.774 168.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.427 HD21 ' HB3' ' A' ' 56' ' ' SER . 11.4 mt -52.41 -43.25 64.68 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.141 1.376 . . . . 0.0 113.103 177.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -65.89 -22.66 66.53 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.7 mm -84.11 -31.74 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 O-C-N 120.732 -1.23 . . . . 0.0 112.755 177.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.02 -29.6 44.26 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.226 0.921 . . . . 0.0 111.821 172.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 56.4 mtm -58.01 -51.03 71.34 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.278 0.631 . . . . 0.0 112.107 170.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 30.1 mtm -70.8 -42.25 70.56 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.589 1.156 . . . . 0.0 112.706 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -58.79 -35.35 72.67 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.781 0.833 . . . . 0.0 112.201 174.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.403 ' HB3' ' CD2' ' A' ' 49' ' ' TYR . 10.5 p -72.99 -41.44 64.33 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 171.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -65.52 -36.77 84.81 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.747 1.219 . . . . 0.0 112.641 -174.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.8 t -55.85 -49.4 73.43 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.774 0.671 . . . . 0.0 111.004 168.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -66.3 -37.54 85.66 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.711 0.804 . . . . 0.0 113.013 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.85 -46.32 85.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 118.611 0.641 . . . . 0.0 111.033 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.09 -28.72 64.54 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.779 -0.629 . . . . 0.0 112.145 173.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -67.46 -37.72 83.36 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.771 1.169 . . . . 0.0 113.183 174.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.37 -44.38 92.74 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.254 0.622 . . . . 0.0 110.716 173.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 24.0 t -66.16 -41.14 88.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 121.785 -0.572 . . . . 0.0 110.888 171.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.18 -33.69 63.22 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.953 1.701 . . . . 0.0 112.545 178.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -71.26 -38.98 71.85 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.616 1.166 . . . . 0.0 112.892 173.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -83.36 -21.34 33.14 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -176.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -94.04 7.51 44.86 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -173.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 116.906 -1.521 . . . . 0.0 114.267 169.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 N--CA 1.482 1.166 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.406 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 8.7 t0 -86.88 -42.35 13.29 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 120.134 1.334 . . . . 0.0 111.74 -175.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 p -59.94 -19.63 53.01 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.152 -0.968 . . . . 0.0 113.059 165.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.79 -58.48 3.24 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.324 1.45 . . . . 0.0 112.33 168.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.556 ' HB3' HD13 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -63.05 -26.55 68.89 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.146 -0.972 . . . . 0.0 113.081 -176.432 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -67.91 -28.06 67.18 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 173.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -78.36 -44.34 25.31 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 122.604 0.362 . . . . 0.0 110.334 169.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.42 -41.95 77.22 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.281 1.032 . . . . 0.0 112.686 -177.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -66.42 -32.16 73.36 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -81.64 -36.1 29.23 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 124.776 1.23 . . . . 0.0 111.531 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -56.27 -42.96 78.29 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.264 1.026 . . . . 0.0 111.971 173.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.1 m -72.37 -27.45 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 176.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -64.99 -40.8 95.5 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.459 1.027 . . . . 0.0 111.852 165.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -71.89 -14.25 61.89 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -80.82 -59.49 2.65 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.367 -0.833 . . . . 0.0 110.708 159.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.45 HG13 ' HB3' ' A' ' 42' ' ' LEU . 11.1 t -54.16 -51.69 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 124.167 0.987 . . . . 0.0 113.09 -176.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -63.83 -34.88 78.92 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 120.464 1.484 . . . . 0.0 112.463 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -72.58 -45.55 58.6 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.392 0.677 . . . . 0.0 110.489 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.2 mm -61.92 -35.99 71.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 124.604 1.161 . . . . 0.0 111.028 176.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.441 HG22 HG22 ' A' ' 39' ' ' VAL . 35.1 t -60.96 -52.69 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.895 0.878 . . . . 0.0 111.105 168.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.31 -40.31 97.28 Favored Glycine 0 CA--C 1.537 1.414 0 CA-C-N 119.154 0.888 . . . . 0.0 113.894 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -74.96 -31.04 61.38 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.254 -1.145 . . . . 0.0 112.196 175.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 t -77.24 -6.5 53.31 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 120.462 -1.399 . . . . 0.0 114.079 170.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -85.16 -31.65 23.14 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.356 0.98 . . . . 0.0 111.803 157.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.44 -34.07 75.33 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.558 1.072 . . . . 0.0 113.494 176.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . 0.323 21.5 pttp -87.44 18.74 3.66 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 170.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.4 m -129.6 179.58 5.74 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.99 1.716 . . . . 0.0 111.668 177.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.2 m -129.22 155.53 45.4 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 126.012 1.725 . . . . 0.0 108.816 168.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -45.74 -46.17 14.92 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.036 1.334 . . . . 0.0 113.839 174.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.37 -34.76 64.57 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 120.969 -1.082 . . . . 0.0 113.61 173.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -93.64 11.0 30.42 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.735 2.014 . . . . 0.0 113.867 176.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -51.58 -32.51 28.76 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.93 1.241 . . . . 0.0 112.511 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.69 -42.59 11.81 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 127.983 2.513 . . . . 0.0 112.762 174.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.1 mt -70.04 -47.05 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.244 1.018 . . . . 0.0 110.042 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.5 m -68.18 -35.22 77.68 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.81 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 49.8 t -64.28 -43.61 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 CA-C-N 120.467 1.485 . . . . 0.0 111.044 174.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.06 85.78 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.789 -0.569 . . . . 0.0 112.486 175.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.9 tp -74.31 -35.34 63.66 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.583 0.753 . . . . 0.0 112.777 173.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.441 HG22 HG22 ' A' ' 20' ' ' VAL . 22.9 t -59.32 -43.56 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 120.474 1.488 . . . . 0.0 110.78 173.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.52 -34.75 76.05 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.172 0.589 . . . . 0.0 111.807 176.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -74.39 -46.08 42.7 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.782 0.833 . . . . 0.0 112.295 173.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.45 ' HB3' HG13 ' A' ' 16' ' ' VAL . 77.4 mt -57.76 -39.25 76.98 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.429 -1.419 . . . . 0.0 111.085 177.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -69.49 -31.79 70.27 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 117.735 -1.126 . . . . 0.0 113.775 171.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -62.79 -50.5 70.76 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.324 1.45 . . . . 0.0 110.448 174.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.1 mt -62.6 -47.45 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 118.109 0.413 . . . . 0.0 110.236 175.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -53.97 -47.12 71.7 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.769 0.827 . . . . 0.0 111.63 176.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -66.41 -47.19 74.06 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.818 1.647 . . . . 0.0 112.353 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -60.51 -42.1 95.71 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.734 -0.604 . . . . 0.0 111.266 176.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -78.11 -35.92 48.6 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 118.304 -0.855 . . . . 0.0 111.802 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.5 mt -50.77 -45.95 59.27 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.319 1.418 . . . . 0.0 111.208 166.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -71.41 -40.06 70.71 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.102 0.561 . . . . 0.0 111.799 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -60.57 -36.58 78.85 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.321 -0.862 . . . . 0.0 112.442 171.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.1 mt -81.45 -27.86 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 123.618 0.767 . . . . 0.0 112.084 -171.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.8 p -77.06 -37.54 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 O-C-N 121.062 -1.024 . . . . 0.0 112.354 165.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -95.09 -1.59 51.77 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -172.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.1 t -63.44 145.81 54.86 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 121.025 -1.047 . . . . 0.0 110.752 175.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.8 t -115.2 14.0 16.86 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.426 1.49 . . . . 0.0 111.873 175.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 m -134.89 112.84 10.99 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.684 1.594 . . . . 0.0 110.766 -174.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.481 ' HA ' HD12 ' A' ' 62' ' ' LEU . 18.6 pt-20 -71.9 -28.42 63.48 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -178.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.8 p -61.35 -55.92 26.21 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.248 1.019 . . . . 0.0 110.772 169.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -55.9 -37.01 68.31 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.548 1.139 . . . . 0.0 112.188 176.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.556 HD13 ' HB3' ' A' ' 5' ' ' ARG . 27.5 mt -56.58 -40.22 74.84 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.391 0.996 . . . . 0.0 112.959 177.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -75.93 -35.27 59.81 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.574 0.625 . . . . 0.0 112.305 176.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.4 mm -70.72 -32.78 50.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 O-C-N 120.731 -1.23 . . . . 0.0 111.989 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.9 mt -55.16 -28.43 52.79 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.143 0.977 . . . . 0.0 112.67 175.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 49.6 mtm -64.3 -47.16 80.53 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.133 0.878 . . . . 0.0 112.106 171.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 12.3 mmt -71.43 -38.74 71.34 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.814 1.246 . . . . 0.0 111.262 -178.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -61.7 -52.2 65.27 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.143 0.977 . . . . 0.0 111.448 171.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -40.18 93.99 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.652 1.115 . . . . 0.0 111.543 177.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -55.01 -51.82 65.07 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.003 0.921 . . . . 0.0 111.07 172.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.4 t -69.3 -34.4 74.64 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -65.64 -40.71 92.8 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.352 1.061 . . . . 0.0 110.833 175.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.446 HG13 ' CD2' ' A' ' 42' ' ' LEU . 17.8 t -64.36 -47.37 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.459 1.504 . . . . 0.0 111.64 172.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -61.68 -41.23 97.28 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.311 0.645 . . . . 0.0 111.421 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -65.84 -39.83 91.19 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.668 -0.645 . . . . 0.0 111.84 172.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.59 -36.53 83.03 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 119.534 1.061 . . . . 0.0 112.01 177.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.5 t -61.16 -51.4 73.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 118.653 0.661 . . . . 0.0 110.301 169.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.0 t -60.24 -35.59 75.82 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.544 0.738 . . . . 0.0 112.895 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -66.55 -15.08 63.14 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.478 1.911 . . . . 0.0 113.344 175.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -105.48 -12.79 15.85 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.617 1.967 . . . . 0.0 113.922 170.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -73.6 -19.59 60.83 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 120.058 -1.651 . . . . 0.0 114.093 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.94 0 C-N-CA 125.441 1.496 . . . . 0.0 113.504 -176.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 10.4 mp . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 119.094 -0.479 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -68.9 -38.75 79.82 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -173.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 m -62.47 -26.96 68.8 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.315 -1.491 . . . . 0.0 112.223 166.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.36 -38.05 65.84 Favored 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 124.065 0.946 . . . . 0.0 112.735 175.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.518 ' HA ' HD22 ' A' ' 62' ' ' LEU . 26.4 ptt180 -72.08 -32.2 66.8 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 118.743 -0.646 . . . . 0.0 111.42 172.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -72.02 -42.37 66.46 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 178.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -64.45 -41.43 96.55 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.925 172.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.97 -48.79 75.05 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -63.26 -38.25 90.43 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.32 -0.863 . . . . 0.0 112.156 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -66.65 -39.77 88.38 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.607 0.763 . . . . 0.0 111.982 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -63.55 -44.38 94.35 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.174 1.39 . . . . 0.0 112.609 177.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.1 m -77.84 -29.25 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 121.273 -0.892 . . . . 0.0 112.072 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -58.43 -54.12 50.62 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.925 1.29 . . . . 0.0 111.695 167.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.46 -35.63 81.07 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.41 0.55 . . . . 0.0 112.462 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -69.87 -44.0 70.7 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.53 -0.731 . . . . 0.0 112.322 176.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 t -60.52 -48.96 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 119.513 1.051 . . . . 0.0 111.464 175.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -64.74 -34.08 77.48 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 120.369 1.44 . . . . 0.0 112.478 177.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -70.46 -42.21 71.74 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.631 0.65 . . . . 0.0 110.303 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.9 mm -72.48 -29.73 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 124.609 1.163 . . . . 0.0 112.138 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.7 t -59.24 -44.16 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 119.531 1.059 . . . . 0.0 110.36 162.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.62 -43.84 97.35 Favored Glycine 0 CA--C 1.535 1.322 0 O-C-N 121.621 -0.675 . . . . 0.0 114.03 172.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -63.46 -32.52 73.99 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.63 1.215 . . . . 0.0 112.08 173.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.2 t -63.21 -47.95 80.36 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.158 -0.964 . . . . 0.0 111.091 171.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -72.51 1.14 8.63 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 171.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.4 -37.23 12.09 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.05 -1.031 . . . . 0.0 112.045 164.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.6 ptpt -95.44 -15.32 23.06 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 115.613 1.708 . . . . 0.0 115.613 -178.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.8 p -90.49 -177.42 5.05 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.792 1.178 . . . . 0.0 114.115 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.16 156.58 43.52 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.107 2.163 . . . . 0.0 109.786 -175.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -41.5 -43.3 2.61 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.799 1.64 . . . . 0.0 112.903 163.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.41 -20.56 65.65 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.583 1.153 . . . . 0.0 113.056 178.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -120.35 27.8 8.39 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.289 2.236 . . . . 0.0 112.46 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.5 t60 -52.54 -44.74 65.98 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.675 -0.64 . . . . 0.0 111.426 176.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.2 m -46.68 -51.84 15.11 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.207 1.403 . . . . 0.0 113.595 171.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.3 mm -67.71 -34.58 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 123.69 0.796 . . . . 0.0 110.301 -175.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.3 m -67.09 -44.2 80.63 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.266 1.026 . . . . 0.0 111.088 174.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 75.6 t -65.35 -40.05 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.442 1.097 . . . . 0.0 111.903 175.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.28 83.29 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.412 0.551 . . . . 0.0 111.439 175.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.0 tp -66.52 -34.41 77.85 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.802 0.728 . . . . 0.0 112.488 176.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.0 t -58.68 -48.18 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 121.077 -1.014 . . . . 0.0 111.642 170.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -68.57 -30.71 69.53 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 119.01 -0.519 . . . . 0.0 112.168 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -69.6 -47.97 61.7 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.768 0.713 . . . . 0.0 111.801 173.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.3 mt -57.93 -36.35 72.38 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 120.567 -1.333 . . . . 0.0 111.43 174.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -72.78 -27.28 61.91 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 171.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -71.59 -49.05 44.1 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.316 1.446 . . . . 0.0 109.062 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 75.6 mt -59.0 -44.65 91.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 124.64 1.176 . . . . 0.0 110.186 173.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -60.21 -53.95 51.57 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 118.259 0.481 . . . . 0.0 111.779 176.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -58.43 -44.9 89.3 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.018 0.927 . . . . 0.0 112.112 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -58.48 -52.43 65.67 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.236 1.014 . . . . 0.0 111.139 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -77.91 -28.33 49.75 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 118.097 -0.954 . . . . 0.0 113.497 -176.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.5 mt -59.58 -43.53 93.63 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 120.649 1.568 . . . . 0.0 111.066 166.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.1 -28.16 66.24 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 118.408 0.549 . . . . 0.0 112.433 178.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -70.18 -48.96 54.98 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 118.934 0.788 . . . . 0.0 110.291 170.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.8 mt -62.66 -42.07 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 125.619 1.568 . . . . 0.0 111.68 -175.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.9 -30.86 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 O-C-N 120.581 -1.325 . . . . 0.0 113.654 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -96.1 1.2 52.29 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.118 1.767 . . . . 0.0 113.134 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.483 ' HB2' HD21 ' A' ' 62' ' ' LEU . 14.3 m -71.52 105.21 3.53 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 120.607 -1.308 . . . . 0.0 112.835 -173.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.3 t -81.74 30.53 0.37 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.628 1.571 . . . . 0.0 112.953 -177.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.9 m -162.1 127.23 3.39 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.786 1.634 . . . . 0.0 112.256 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -73.03 -28.56 62.42 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.7 p -57.81 -59.65 4.91 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.467 1.507 . . . . 0.0 110.662 169.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -54.52 -41.26 69.47 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.751 1.22 . . . . 0.0 112.261 176.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.518 HD22 ' HA ' ' A' ' 5' ' ' ARG . 18.2 mt -56.49 -41.02 75.91 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 178.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -67.72 -39.91 84.3 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.116 0.416 . . . . 0.0 111.593 174.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.2 mm -68.75 -33.69 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 O-C-N 120.726 -1.234 . . . . 0.0 112.171 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.8 mt -58.8 -26.15 63.81 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.446 -0.784 . . . . 0.0 113.109 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 35.9 mtm -64.45 -49.64 70.64 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.159 0.89 . . . . 0.0 111.321 170.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 30.9 mtm -68.75 -41.07 79.43 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.479 0.712 . . . . 0.0 112.054 -179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -64.7 -46.02 84.11 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.341 0.656 . . . . 0.0 112.21 176.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.7 p -66.27 -36.83 83.99 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.272 -0.893 . . . . 0.0 112.247 175.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -58.77 -44.79 90.72 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.044 0.838 . . . . 0.0 111.496 171.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 75.7 m -60.36 -41.43 93.65 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 118.394 -0.812 . . . . 0.0 112.214 174.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -65.65 -40.4 92.44 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.736 1.153 . . . . 0.0 113.383 174.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.6 t -63.24 -44.83 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.281 0.633 . . . . 0.0 110.847 177.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -69.26 -40.46 77.83 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 122.955 0.502 . . . . 0.0 111.95 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -55.91 -42.49 76.14 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.143 1.377 . . . . 0.0 111.63 172.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.6 73.03 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.789 0.835 . . . . 0.0 111.73 176.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.9 t -56.94 -47.51 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.312 0.96 . . . . 0.0 110.745 174.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.0 t -68.1 -33.07 73.84 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -67.06 -34.99 78.89 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.83 1.252 . . . . 0.0 112.619 171.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -82.52 -29.16 30.61 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -89.4 16.99 6.64 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt . . . . . 0 C--O 1.248 0.975 0 CA-C-O 116.159 -1.877 . . . . 0.0 112.529 171.918 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -50.67 -44.01 57.54 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.482 1.913 . . . . 0.0 115.823 -178.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -74.18 -30.46 62.24 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.319 -0.863 . . . . 0.0 111.975 177.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.96 -46.09 58.69 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.878 1.271 . . . . 0.0 111.099 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -2.84 12.92 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.83 -39.71 11.61 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.616 1.566 . . . . 0.0 113.747 160.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -66.78 -43.78 83.08 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.961 1.304 . . . . 0.0 112.605 178.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.09 -40.95 97.33 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.424 0.69 . . . . 0.0 112.619 176.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.2 ptt85 -72.0 -32.21 66.98 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 120.88 -1.138 . . . . 0.0 113.099 175.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -60.57 -38.42 84.5 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.785 0.834 . . . . 0.0 111.983 174.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -61.89 -49.01 77.93 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.409 0.684 . . . . 0.0 111.862 176.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.8 m -78.88 -26.5 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -56.84 -52.57 64.57 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.34 1.056 . . . . 0.0 111.196 167.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -73.1 -26.17 61.15 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.727 0.694 . . . . 0.0 112.556 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -66.56 -53.02 39.13 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.744 0.702 . . . . 0.0 111.975 171.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.2 t -55.11 -50.93 59.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.561 1.145 . . . . 0.0 110.256 172.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -60.09 -38.83 84.1 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.203 1.001 . . . . 0.0 112.949 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -67.86 -45.43 74.59 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.577 0.626 . . . . 0.0 110.891 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.0 mm -71.0 -29.67 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 C-N-CA 123.668 0.787 . . . . 0.0 111.524 -177.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.7 t -62.42 -45.66 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.684 1.194 . . . . 0.0 111.03 166.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.37 -43.6 98.83 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 123.38 0.514 . . . . 0.0 113.173 175.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -72.17 -32.38 66.78 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.276 1.03 . . . . 0.0 113.374 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.7 t -55.43 -46.91 76.65 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.377 1.071 . . . . 0.0 111.192 172.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -68.67 -47.84 65.46 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.972 -0.455 . . . . 0.0 112.118 170.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.36 -30.8 71.87 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -172.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -80.19 -4.82 54.62 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.715 1.206 . . . . 0.0 113.948 175.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 t -130.09 -164.36 1.41 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.226 1.411 . . . . 0.0 113.323 -164.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.0 p -150.23 164.69 35.05 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.071 1.748 . . . . 0.0 113.358 -169.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -67.08 -17.66 64.98 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.574 1.149 . . . . 0.0 112.9 177.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.4 mppt? -63.53 -41.0 98.49 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.76 0.824 . . . . 0.0 111.414 168.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -96.01 18.11 14.07 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.035 1.334 . . . . 0.0 113.759 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -57.83 -36.37 72.17 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -165.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 m -58.57 -38.98 79.05 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.884 0.874 . . . . 0.0 112.398 175.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 40.1 mt -72.08 -42.27 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.23 1.012 . . . . 0.0 109.905 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.9 p -63.2 -43.34 98.44 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.72 -0.612 . . . . 0.0 112.007 173.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 43.5 t -61.75 -40.04 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 123.549 0.74 . . . . 0.0 111.544 175.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.1 -46.83 76.25 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.401 1.001 . . . . 0.0 112.334 176.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.4 tp -61.89 -39.41 91.86 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.613 -0.679 . . . . 0.0 111.894 174.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 53.3 t -69.07 -39.84 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 121.078 -1.013 . . . . 0.0 112.171 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -57.67 -41.6 81.84 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 119.127 -0.463 . . . . 0.0 111.314 170.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -71.01 -45.76 63.38 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.711 0.687 . . . . 0.0 112.323 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.3 mt -53.2 -39.77 63.95 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 120.739 -1.226 . . . . 0.0 112.08 173.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -77.35 -26.11 51.68 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 174.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -70.27 -44.59 68.13 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.221 1.008 . . . . 0.0 109.662 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 58.7 mt -57.85 -45.12 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 124.524 1.129 . . . . 0.0 109.885 169.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -61.73 -41.87 98.21 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 118.171 -0.919 . . . . 0.0 112.366 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -63.89 -43.57 95.61 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.909 1.231 . . . . 0.0 112.581 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -63.89 -51.71 63.31 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 123.402 0.439 . . . . 0.0 111.272 172.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -76.69 -24.34 53.18 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.947 -1.095 . . . . 0.0 113.069 -171.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.2 mt -58.53 -46.19 87.3 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 120.179 1.354 . . . . 0.0 110.611 162.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.82 -21.31 62.48 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.662 0.785 . . . . 0.0 112.918 178.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -79.19 -48.86 13.47 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.346 1.059 . . . . 0.0 111.886 169.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.9 mt -67.99 -39.95 82.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.647 0.779 . . . . 0.0 111.043 -174.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.9 p -60.68 -27.78 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 O-C-N 120.872 -1.142 . . . . 0.0 112.24 173.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -110.59 3.42 19.38 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.195 1.798 . . . . 0.0 113.651 -166.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.8 t -63.02 124.19 20.47 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.341 -1.474 . . . . 0.0 109.712 -177.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.9 t -74.54 -29.24 61.3 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.5 t -97.5 131.47 44.09 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.3 1.04 . . . . 0.0 111.944 174.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -77.39 -6.79 54.66 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.083 0.953 . . . . 0.0 113.288 171.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.4 t -87.1 -43.05 12.57 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.894 0.878 . . . . 0.0 110.013 166.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -61.3 -32.89 72.74 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 118.418 -0.801 . . . . 0.0 112.269 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.6 mt -48.24 -45.09 33.83 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.655 1.116 . . . . 0.0 112.899 170.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -73.56 -21.66 60.3 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.4 mm -77.41 -37.78 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 124.013 0.925 . . . . 0.0 112.653 170.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -53.76 -28.31 33.87 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.884 1.22 . . . . 0.0 112.321 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 69.8 mtm -58.28 -49.32 77.56 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.05 0.94 . . . . 0.0 113.062 170.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 33.7 mtm -71.99 -36.84 69.88 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.182 0.993 . . . . 0.0 111.398 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -62.47 -51.3 68.01 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.247 0.476 . . . . 0.0 112.125 175.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 t -68.15 -30.44 69.56 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 117.736 -1.126 . . . . 0.0 112.544 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 -58.89 -47.03 86.42 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.432 1.469 . . . . 0.0 111.617 167.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.4 m -60.31 -41.54 93.67 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.066 0.848 . . . . 0.0 112.222 174.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HA ' ' HE2' ' A' ' 72' ' ' LYS . 10.9 mmpt? -65.26 -40.11 93.53 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.323 0.965 . . . . 0.0 112.48 176.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.7 t -66.09 -45.73 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.312 1.045 . . . . 0.0 111.415 176.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -65.51 -38.2 89.0 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.991 0.916 . . . . 0.0 111.975 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -59.84 -44.96 93.81 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 124.438 1.095 . . . . 0.0 111.652 169.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.62 -46.96 87.56 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.434 1.016 . . . . 0.0 111.853 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.7 t -59.54 -47.46 90.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 O-C-N 121.597 -0.689 . . . . 0.0 110.687 174.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.0 t -62.92 -34.15 76.84 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.012 0.925 . . . . 0.0 112.661 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -70.03 -41.58 74.07 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.836 1.254 . . . . 0.0 111.906 175.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -83.63 -16.33 45.6 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 -177.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -9.69 59.05 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 172.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? . . . . . 0 C--O 1.247 0.961 0 C-N-CA 124.268 1.027 . . . . 0.0 111.965 166.977 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 118.838 -0.601 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -60.83 -47.94 84.06 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -156.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.6 p -76.37 -23.07 54.12 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 120.282 -1.511 . . . . 0.0 113.752 176.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -68.33 -39.68 81.85 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.68 0.792 . . . . 0.0 112.235 170.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.2 ptt85 -74.48 -32.07 62.43 Favored 'General case' 0 N--CA 1.463 0.203 0 O-C-N 121.505 -0.747 . . . . 0.0 111.732 173.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -66.71 -45.01 80.12 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 118.273 0.488 . . . . 0.0 111.46 177.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -66.3 -38.38 87.6 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 119.2 -0.429 . . . . 0.0 111.213 174.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.32 -38.33 90.74 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -72.13 -42.11 66.38 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.828 0.74 . . . . 0.0 112.482 169.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -69.94 -25.94 63.89 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 118.091 -0.957 . . . . 0.0 113.175 -174.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -55.88 -64.62 0.79 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.575 1.55 . . . . 0.0 110.43 162.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.0 m -70.27 -24.46 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 121.583 -0.698 . . . . 0.0 112.716 -172.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.02 -35.97 77.24 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 117.818 -1.087 . . . . 0.0 112.836 168.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -40.54 76.23 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 120.973 1.715 . . . . 0.0 109.33 169.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -63.51 -48.81 76.06 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.961 0.905 . . . . 0.0 111.39 -172.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.0 t -61.34 -52.16 64.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 123.842 0.857 . . . . 0.0 111.198 175.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -68.26 -28.21 67.01 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 120.391 1.45 . . . . 0.0 113.098 -177.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -72.23 -49.24 36.75 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.855 1.262 . . . . 0.0 110.278 175.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.9 mm -69.78 -28.95 38.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 123.79 0.836 . . . . 0.0 111.455 -177.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.9 t -56.8 -48.69 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-N 119.293 0.951 . . . . 0.0 110.788 163.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.08 -47.27 91.03 Favored Glycine 0 CA--C 1.533 1.218 0 CA-C-N 118.746 0.703 . . . . 0.0 113.601 175.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -61.74 -31.28 71.45 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.503 -0.998 . . . . 0.0 112.293 175.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.8 p -69.37 -43.75 72.92 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 121.545 -0.722 . . . . 0.0 112.121 175.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -67.6 -36.17 80.36 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.495 0.589 . . . . 0.0 111.956 173.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -26.12 66.06 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.485 0.921 . . . . 0.0 113.485 174.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 pttp -108.38 14.25 24.93 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 174.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.8 p -84.88 171.94 11.8 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.626 1.17 . . . . 0.0 113.325 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.3 p -142.31 160.15 40.83 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.673 1.189 . . . . 0.0 110.336 166.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -51.47 -38.31 53.16 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.324 1.05 . . . . 0.0 111.825 167.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -68.18 -32.46 72.73 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.912 2.485 . . . . 0.0 113.313 -178.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.4 mmm-85 -117.11 26.95 9.42 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.781 1.632 . . . . 0.0 112.443 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -57.77 -39.31 77.16 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.539 -0.726 . . . . 0.0 112.023 -176.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.4 m -48.95 -43.22 39.58 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.589 1.556 . . . . 0.0 113.638 173.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.7 mm -65.95 -40.58 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 124.176 0.991 . . . . 0.0 110.353 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.5 m -68.73 -46.16 69.64 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.035 0.934 . . . . 0.0 109.837 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.1 t -56.44 -48.77 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.239 1.016 . . . . 0.0 111.094 173.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.87 -46.05 89.7 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.108 0.867 . . . . 0.0 112.269 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.9 tp -58.69 -49.89 75.91 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.225 1.01 . . . . 0.0 111.842 174.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.03 -36.01 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 121.239 -0.913 . . . . 0.0 112.217 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -71.34 -27.34 63.3 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 176.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -83.85 -39.89 19.35 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.765 0.826 . . . . 0.0 112.397 173.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.2 mt -54.73 -42.91 72.14 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.648 -1.282 . . . . 0.0 112.39 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -74.66 -23.95 58.74 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.72 1.008 . . . . 0.0 113.72 177.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -63.23 -46.51 86.63 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.44 1.896 . . . . 0.0 110.92 173.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.6 mt -60.0 -41.49 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.68 0.792 . . . . 0.0 109.59 172.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -56.3 -45.25 80.32 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 118.355 -0.831 . . . . 0.0 111.65 177.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -62.02 -52.52 63.65 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.282 0.946 . . . . 0.0 112.003 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -58.62 -39.46 80.55 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.05 0.94 . . . . 0.0 112.044 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -87.19 -29.88 21.42 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 118.378 -0.82 . . . . 0.0 112.632 -178.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.8 mt -55.57 -42.1 74.24 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 120.426 1.466 . . . . 0.0 112.04 169.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -61.46 -49.09 78.22 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.875 0.87 . . . . 0.0 111.492 172.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -62.84 -32.81 74.1 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.185 -0.947 . . . . 0.0 111.959 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 76.2 mt -74.25 -32.7 32.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 C-N-CA 125.03 1.332 . . . . 0.0 111.746 178.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.9 p -78.72 -31.8 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 O-C-N 120.227 -1.546 . . . . 0.0 112.91 169.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -81.55 -3.27 52.76 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.41 ' HB2' HD21 ' A' ' 62' ' ' LEU . 6.2 m -74.12 132.87 42.67 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 124.352 1.061 . . . . 0.0 113.202 -174.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.9 p -96.51 -4.99 40.46 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.179 1.392 . . . . 0.0 114.229 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.1 m -137.12 135.31 37.3 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.632 1.173 . . . . 0.0 112.737 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 56.9 mp0 -53.08 -35.1 59.22 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.521 1.128 . . . . 0.0 112.599 165.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.0 t -56.67 -59.92 4.31 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.718 0.807 . . . . 0.0 112.193 176.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -64.83 -32.19 73.77 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.417 -0.802 . . . . 0.0 111.915 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.41 HD21 ' HB2' ' A' ' 56' ' ' SER . 39.8 mt -56.59 -43.39 80.02 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.036 0.834 . . . . 0.0 112.616 175.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -66.08 -41.95 90.03 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.366 0.53 . . . . 0.0 111.419 175.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.5 mm -69.15 -32.29 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 O-C-N 120.696 -1.253 . . . . 0.0 112.251 -177.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.2 mt -59.02 -28.66 66.61 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.103 0.865 . . . . 0.0 113.123 173.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 32.0 mtm -62.61 -54.23 42.72 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 118.856 0.753 . . . . 0.0 110.546 168.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 31.5 mtm -66.11 -34.51 78.21 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.127 0.971 . . . . 0.0 112.768 -176.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -68.28 -47.36 67.87 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.774 1.229 . . . . 0.0 112.232 172.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.8 t -61.12 -43.8 98.33 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.683 -0.636 . . . . 0.0 110.913 175.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.2 mtp85 -60.87 -44.74 96.63 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.728 1.611 . . . . 0.0 112.456 175.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.9 m -57.76 -40.69 80.35 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.902 0.881 . . . . 0.0 111.608 175.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -76.81 -26.63 54.63 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 177.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.1 t -67.96 -49.56 67.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 123.989 0.915 . . . . 0.0 110.944 168.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -63.52 -36.5 83.98 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.023 0.929 . . . . 0.0 111.975 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -63.2 -50.25 71.02 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 118.352 -0.832 . . . . 0.0 111.008 168.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.65 -47.01 80.71 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 120.075 1.307 . . . . 0.0 111.346 -177.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.7 t -53.27 -58.18 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.22 0.608 . . . . 0.0 110.171 172.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.5 m -65.72 -30.79 71.51 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.934 1.294 . . . . 0.0 113.348 -171.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -73.87 -32.07 63.45 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 128.48 2.712 . . . . 0.0 112.546 174.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -84.95 -7.06 59.31 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 169.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -71.74 -6.61 42.58 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 119.865 -1.772 . . . . 0.0 114.618 172.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.031 0 C-N-CA 125.451 1.5 . . . . 0.0 114.352 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.663 0.268 . . . . 0.0 111.49 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.63 -47.74 84.89 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.341 1.856 . . . . 0.0 110.908 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 p -66.18 -17.93 65.03 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 126.603 1.961 . . . . 0.0 114.319 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -89.58 -46.64 8.52 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 124.101 0.96 . . . . 0.0 111.462 174.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -69.51 -26.24 64.44 Favored 'General case' 0 C--N 1.332 -0.169 0 O-C-N 121.713 -0.617 . . . . 0.0 112.593 -178.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -60.58 -39.51 88.3 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.827 0.739 . . . . 0.0 112.164 171.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -66.01 -42.22 89.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 122.489 0.316 . . . . 0.0 110.858 175.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.75 92.65 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -65.7 -35.19 80.06 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 121.047 -1.033 . . . . 0.0 112.196 173.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -62.42 -46.4 88.72 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.978 0.808 . . . . 0.0 110.905 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -57.33 -46.53 83.18 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.923 0.783 . . . . 0.0 112.631 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.6 m -73.54 -30.06 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -62.0 -47.67 83.74 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.925 0.89 . . . . 0.0 111.601 169.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -61.46 -48.07 82.8 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.329 1.051 . . . . 0.0 112.473 175.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -64.6 -42.8 95.34 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.542 0.61 . . . . 0.0 111.666 -176.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.7 t -63.47 -50.82 76.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 O-C-N 121.552 -0.718 . . . . 0.0 110.942 174.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -72.8 -25.61 61.21 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.78 1.173 . . . . 0.0 114.009 -174.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -60.35 -46.77 88.74 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.552 1.141 . . . . 0.0 109.582 168.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.6 mt -80.01 -26.36 12.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 124.009 0.924 . . . . 0.0 111.763 -172.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.4 t -58.45 -49.68 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 CA-C-N 119.343 0.974 . . . . 0.0 111.188 161.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.15 -42.34 99.47 Favored Glycine 0 CA--C 1.535 1.282 0 O-C-N 121.464 -0.772 . . . . 0.0 113.413 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -74.25 -19.35 60.54 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 176.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.9 t -66.82 -51.57 54.09 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.383 1.073 . . . . 0.0 110.677 169.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -59.71 -24.54 64.06 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 171.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.49 -13.97 59.79 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -116.1 -28.94 6.44 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.4 p -77.14 -179.55 5.67 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.669 1.122 . . . . 0.0 112.412 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 t -132.47 153.43 50.89 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.281 1.432 . . . . 0.0 109.487 167.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -62.89 -17.86 62.22 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 173.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -12.73 61.34 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 168.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -129.26 31.96 4.77 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 127.11 2.164 . . . . 0.0 111.158 170.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -47.43 -38.75 14.04 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.175 1.39 . . . . 0.0 112.299 -172.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -39.71 -42.43 1.24 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 129.521 3.128 . . . . 0.0 114.487 173.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 50.2 mm -68.97 -48.19 71.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.139 0.976 . . . . 0.0 110.226 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -49.01 77.89 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.203 1.001 . . . . 0.0 111.594 175.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.8 p -72.06 -35.4 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 118.745 -0.645 . . . . 0.0 112.28 -175.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.48 93.18 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.579 1.081 . . . . 0.0 111.746 173.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 tp -64.59 -40.76 96.11 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.309 0.644 . . . . 0.0 111.936 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 50.5 t -63.95 -40.62 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 O-C-N 120.922 -1.111 . . . . 0.0 111.871 173.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -62.76 -32.61 73.79 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.366 1.066 . . . . 0.0 112.357 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -85.84 -39.98 16.48 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.164 0.893 . . . . 0.0 113.023 171.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -51.07 -43.19 60.97 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.403 -1.435 . . . . 0.0 112.587 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -77.62 -23.81 49.72 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 176.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -68.51 -49.42 59.76 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.812 1.245 . . . . 0.0 110.16 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.2 mt -54.85 -46.79 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 124.112 0.965 . . . . 0.0 109.506 172.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -62.78 -43.65 98.25 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 118.667 -0.683 . . . . 0.0 112.203 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.75 -44.69 82.0 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.092 0.957 . . . . 0.0 112.204 175.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -71.49 -48.54 48.47 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.544 0.738 . . . . 0.0 110.968 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.455 ' CD2' ' HB2' ' A' ' 69' ' ' SER . 6.4 m-85 -68.38 -35.76 78.16 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-O 117.421 -1.276 . . . . 0.0 112.164 -177.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.6 mt -55.4 -44.98 76.66 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.402 1.455 . . . . 0.0 112.107 170.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -61.63 -37.48 84.14 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.134 0.425 . . . . 0.0 111.208 174.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -74.94 -14.47 60.64 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.368 1.067 . . . . 0.0 113.211 175.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.5 mm -75.74 -54.56 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-N 120.388 1.449 . . . . 0.0 109.999 168.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.7 p -66.95 -25.49 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 O-C-N 121.477 -0.765 . . . . 0.0 112.071 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -110.13 25.12 12.14 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.532 1.533 . . . . 0.0 113.076 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -67.76 150.59 48.46 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.39 -0.819 . . . . 0.0 112.038 169.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.3 p -117.14 -10.35 10.86 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -168.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.5 m -145.01 151.24 38.26 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.234 1.414 . . . . 0.0 110.65 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -71.68 -33.68 69.03 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.258 -0.901 . . . . 0.0 112.402 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.9 p -67.82 -40.75 83.76 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.638 1.175 . . . . 0.0 111.919 170.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -59.33 -37.5 77.96 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.038 0.935 . . . . 0.0 111.828 177.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.9 mt -57.68 -35.77 71.03 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 173.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -66.62 -47.64 71.99 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.915 0.78 . . . . 0.0 111.163 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.6 mm -71.75 -31.17 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 120.831 -1.168 . . . . 0.0 111.875 -171.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -48.34 -34.86 11.33 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.634 1.174 . . . . 0.0 113.065 168.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 31.3 mtm -68.63 -49.63 57.65 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.321 0.648 . . . . 0.0 112.255 176.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -68.37 -37.03 80.04 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.634 0.773 . . . . 0.0 111.722 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -67.26 -42.89 83.15 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.095 -1.003 . . . . 0.0 111.793 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.455 ' HB2' ' CD2' ' A' ' 49' ' ' TYR . 2.6 t -63.46 -39.7 95.16 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.273 0.942 . . . . 0.0 112.673 170.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -58.17 -45.75 86.94 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.984 1.265 . . . . 0.0 111.336 174.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.9 t -66.75 -34.7 78.42 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 175.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -62.74 -40.36 96.99 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 120.866 -1.146 . . . . 0.0 112.035 169.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.2 t -70.89 -37.1 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 118.542 0.61 . . . . 0.0 111.167 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -59.62 -41.05 89.56 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.83 0.741 . . . . 0.0 112.238 170.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -62.84 -43.21 99.41 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.381 0.991 . . . . 0.0 111.299 172.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.29 -45.43 94.51 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.507 -0.745 . . . . 0.0 111.856 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 72.3 t -61.57 -52.46 60.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.359 -0.838 . . . . 0.0 110.694 174.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.3 p -60.93 -41.43 96.21 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 121.717 -0.614 . . . . 0.0 111.902 -175.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -77.59 -3.99 43.58 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.817 2.047 . . . . 0.0 115.047 178.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -118.91 -9.21 10.14 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 168.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.99 -23.0 66.49 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 120.866 -1.146 . . . . 0.0 113.225 172.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.147 0 C-N-CA 126.981 2.112 . . . . 0.0 111.665 170.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.95 -60.61 2.91 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 127.146 2.179 . . . . 0.0 114.914 -178.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -60.58 -31.52 70.66 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.488 1.04 . . . . 0.0 112.759 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -68.33 -49.66 58.75 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.883 1.673 . . . . 0.0 111.847 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.3 ptt85 -68.1 -22.27 64.92 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -71.74 -53.22 14.15 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.086 0.554 . . . . 0.0 111.401 170.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -62.57 -36.29 82.22 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 120.893 -1.129 . . . . 0.0 112.608 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.69 80.67 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.287 1.035 . . . . 0.0 112.717 172.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.9 ptt85 -69.32 -34.53 74.81 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.272 -0.893 . . . . 0.0 112.44 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -67.9 -38.86 83.53 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.133 -0.937 . . . . 0.0 112.034 177.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -57.08 -43.16 81.87 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.157 0.89 . . . . 0.0 112.131 176.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.6 m -74.91 -25.63 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -66.61 -44.56 81.79 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.569 1.077 . . . . 0.0 111.984 165.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -57.73 -47.89 81.14 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.691 1.132 . . . . 0.0 112.741 174.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -65.49 -42.17 92.48 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.266 0.484 . . . . 0.0 111.766 -178.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.3 t -57.04 -45.47 83.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 O-C-N 121.383 -0.823 . . . . 0.0 111.095 169.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -65.16 -37.1 86.31 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 120.506 1.503 . . . . 0.0 113.412 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -61.77 -51.66 67.42 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.198 0.599 . . . . 0.0 110.53 172.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.6 mm -69.9 -32.07 50.38 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 124.763 1.225 . . . . 0.0 111.452 -174.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.1 t -59.42 -45.05 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.886 1.275 . . . . 0.0 110.816 167.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.9 -44.19 97.79 Favored Glycine 0 CA--C 1.532 1.131 0 CA-C-N 118.739 0.7 . . . . 0.0 113.089 174.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -67.58 -30.43 70.05 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.447 -1.031 . . . . 0.0 112.436 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.9 t -65.42 -30.15 70.92 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.513 1.525 . . . . 0.0 113.038 171.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.469 ' CD1' HG21 ' A' ' 35' ' ' THR . 52.7 m-85 -75.95 -41.52 51.34 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.286 -0.884 . . . . 0.0 112.094 166.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.93 -35.07 79.46 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -175.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.14 -22.24 39.18 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 178.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.6 p -88.97 -159.08 0.54 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.786 1.234 . . . . 0.0 111.889 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.5 m -154.24 152.14 29.97 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.716 2.006 . . . . 0.0 107.28 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -52.57 -42.66 64.67 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 120.49 1.495 . . . . 0.0 113.101 -174.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -60.74 -20.07 60.44 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 175.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -107.58 17.36 22.77 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.426 1.89 . . . . 0.0 112.854 176.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -52.08 -36.22 50.08 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -172.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.7 m -56.54 -31.15 63.87 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.146 0.884 . . . . 0.0 112.961 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.9 mm -66.11 -49.22 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 119.18 0.9 . . . . 0.0 110.705 175.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.469 HG21 ' CD1' ' A' ' 24' ' ' TYR . 88.8 m -61.01 -49.04 79.02 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 123.339 0.656 . . . . 0.0 110.454 175.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.91 -36.03 69.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 123.879 0.872 . . . . 0.0 111.48 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.65 -47.39 66.66 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.251 0.932 . . . . 0.0 112.877 173.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.6 tp -64.2 -38.69 91.94 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.326 -0.859 . . . . 0.0 111.889 175.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.5 t -62.84 -39.55 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.239 1.416 . . . . 0.0 111.312 174.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -62.06 -42.67 99.43 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.135 0.425 . . . . 0.0 111.843 172.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -65.67 -47.3 75.96 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.403 0.547 . . . . 0.0 110.947 177.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.1 mt -54.08 -44.34 71.1 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.654 1.181 . . . . 0.0 112.281 175.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -67.8 -27.01 66.37 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 174.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -81.51 -36.67 28.94 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.948 1.249 . . . . 0.0 111.468 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 52.6 mt -61.05 -46.75 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 166.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -52.14 -50.08 62.43 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.162 0.585 . . . . 0.0 110.902 173.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.12 -52.01 67.55 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.185 1.394 . . . . 0.0 113.846 177.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -66.27 -36.56 83.3 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.228 0.467 . . . . 0.0 110.894 -177.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -78.58 -32.54 47.73 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 118.28 -0.867 . . . . 0.0 112.812 176.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.3 mt -53.92 -45.13 71.08 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.299 1.408 . . . . 0.0 110.924 166.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -63.82 -49.95 70.84 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.25 0.62 . . . . 0.0 111.768 173.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -67.45 -26.66 66.51 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.364 0.983 . . . . 0.0 112.824 -174.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.5 mt -82.08 -44.39 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 125.266 1.426 . . . . 0.0 110.765 176.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.2 t -70.4 -28.54 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 O-C-N 120.914 -1.116 . . . . 0.0 112.294 177.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -79.83 -7.92 58.98 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.098 -1.001 . . . . 0.0 113.514 173.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.418 ' HB3' HD21 ' A' ' 62' ' ' LEU . 2.5 t -81.9 175.28 10.53 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 120.93 -1.106 . . . . 0.0 113.27 -178.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -142.73 -38.89 0.35 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.79 1.636 . . . . 0.0 112.401 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.2 m -76.95 119.54 20.83 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.99 0.916 . . . . 0.0 112.189 -172.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -71.72 31.73 0.05 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.59 1.556 . . . . 0.0 113.564 174.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 t -127.32 -56.94 1.31 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.794 2.038 . . . . 0.0 108.396 171.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -64.71 -33.24 75.48 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.49 -1.381 . . . . 0.0 112.907 173.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.418 HD21 ' HB3' ' A' ' 56' ' ' SER . 19.3 mt -53.33 -34.85 59.11 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.61 0.764 . . . . 0.0 112.092 169.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -78.26 -44.68 24.84 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.242 0.617 . . . . 0.0 110.515 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.0 mm -66.82 -31.04 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 120.964 -1.085 . . . . 0.0 112.157 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.0 mt -54.68 -28.34 46.87 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 173.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 50.1 mtm -65.83 -49.12 69.33 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.15 0.886 . . . . 0.0 111.885 170.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -69.77 -32.48 71.0 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.521 1.129 . . . . 0.0 112.502 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -65.87 -45.54 81.7 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.762 0.825 . . . . 0.0 111.546 169.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.6 m -61.68 -43.31 99.1 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.139 0.427 . . . . 0.0 111.173 176.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -53.59 -52.23 60.48 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.872 1.669 . . . . 0.0 111.617 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.5 t -65.52 -38.3 89.27 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -73.82 -30.88 62.95 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.7 t -66.15 -46.66 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.856 1.263 . . . . 0.0 110.742 167.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.69 -36.78 85.39 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.51 0.724 . . . . 0.0 112.425 177.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.98 -45.37 89.37 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.005 0.922 . . . . 0.0 111.514 171.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.41 -47.93 80.44 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.551 0.614 . . . . 0.0 111.231 174.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -57.65 -55.55 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 123.624 0.77 . . . . 0.0 110.721 175.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.5 t -75.33 -14.63 60.5 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -172.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -77.87 -27.59 49.77 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.757 2.023 . . . . 0.0 113.003 166.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -95.39 -37.57 10.89 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.917 0.887 . . . . 0.0 113.166 177.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -86.01 3.64 41.38 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -175.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt . . . . . 0 C--O 1.25 1.131 0 C-N-CA 126.925 2.09 . . . . 0.0 110.764 176.768 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 60.7 tp . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.4 ' HA ' ' HG2' ' A' ' 5' ' ' ARG . 34.6 t70 -70.66 -38.3 73.78 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.738 1.215 . . . . 0.0 112.919 -170.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 p -58.92 -20.25 50.14 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.391 1.076 . . . . 0.0 113.437 166.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.75 -35.78 16.5 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.512 1.125 . . . . 0.0 113.023 174.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.4 ' HG2' ' HA ' ' A' ' 2' ' ' ASP . 7.8 ptp85 -69.65 -29.52 67.0 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 121.422 -0.798 . . . . 0.0 112.241 174.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -65.12 -44.03 90.05 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.337 0.517 . . . . 0.0 111.831 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -68.19 -37.71 81.23 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.736 -0.603 . . . . 0.0 111.849 172.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.05 -44.42 95.92 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -63.27 -40.53 97.66 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.999 0.818 . . . . 0.0 110.967 174.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -66.68 -43.96 83.08 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 117.712 -1.137 . . . . 0.0 111.613 -177.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -58.34 -44.51 88.74 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.546 1.138 . . . . 0.0 111.689 178.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.3 m -80.34 -30.59 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 121.577 -0.702 . . . . 0.0 112.858 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -63.19 -49.54 73.84 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.9 1.28 . . . . 0.0 111.81 169.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -67.47 -35.44 79.17 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 118.681 0.673 . . . . 0.0 111.366 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -68.91 -47.12 66.57 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.725 1.148 . . . . 0.0 111.554 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.4 t -61.95 -42.73 95.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 O-C-N 121.176 -0.952 . . . . 0.0 111.151 173.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -59.54 -48.12 82.88 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 119.933 1.242 . . . . 0.0 111.929 174.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -53.15 61.25 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.301 1.441 . . . . 0.0 108.928 -178.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.6 mm -61.11 -47.75 92.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 124.638 1.175 . . . . 0.0 111.712 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 39.1 t -60.39 -41.88 88.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 CA-C-N 118.763 0.71 . . . . 0.0 110.727 175.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.65 -34.89 90.93 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 123.901 0.762 . . . . 0.0 114.21 174.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -75.72 -39.18 57.76 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.003 1.402 . . . . 0.0 112.482 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.1 m -64.48 -35.73 81.9 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.125 -0.984 . . . . 0.0 111.693 172.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -71.0 -24.69 62.44 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 168.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.65 -34.97 58.25 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.431 1.014 . . . . 0.0 112.787 175.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -97.7 -18.41 18.87 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -172.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.5 t -77.9 140.79 39.32 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.645 1.111 . . . . 0.0 113.261 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.3 m -80.08 147.98 31.22 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.074 0.95 . . . . 0.0 110.482 165.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -45.7 -43.94 13.15 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.417 1.487 . . . . 0.0 114.136 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -60.5 -19.68 57.69 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 127.301 2.24 . . . . 0.0 113.801 -177.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -120.16 12.13 11.77 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.499 1.919 . . . . 0.0 113.397 -174.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -49.87 -33.02 15.78 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.053 -1.029 . . . . 0.0 113.006 175.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.0 m -46.72 -34.61 5.31 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.993 2.117 . . . . 0.0 114.4 174.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.1 mm -79.88 -37.44 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 123.922 0.889 . . . . 0.0 110.638 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.5 p -63.81 -46.73 83.83 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.465 -0.772 . . . . 0.0 111.621 174.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.2 p -64.07 -33.09 60.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 118.545 -0.74 . . . . 0.0 112.57 176.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.46 -49.67 74.51 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.758 1.163 . . . . 0.0 111.666 170.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.6 tp -61.13 -34.39 74.9 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.073 0.949 . . . . 0.0 112.348 175.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 75.7 t -70.26 -42.84 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 119.965 1.257 . . . . 0.0 111.671 174.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -59.15 -33.93 71.48 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.492 0.717 . . . . 0.0 111.757 174.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -74.68 -53.93 8.35 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.421 1.088 . . . . 0.0 112.231 172.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.0 mt -61.03 -40.69 94.57 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.13 1.372 . . . . 0.0 113.745 -173.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -65.19 -28.3 69.29 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 118.641 -0.695 . . . . 0.0 111.995 174.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -77.79 -42.2 34.75 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.666 0.787 . . . . 0.0 111.169 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.2 mt -57.43 -47.16 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 168.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -58.36 -53.98 52.13 Favored 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 122.743 0.417 . . . . 0.0 111.541 177.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -51.74 -51.17 58.17 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.265 1.826 . . . . 0.0 112.263 178.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -66.88 -44.65 80.36 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.821 0.448 . . . . 0.0 111.947 -178.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -74.92 -28.87 60.79 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 118.194 -0.908 . . . . 0.0 111.881 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 39.3 mt -62.7 -43.32 99.11 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 120.293 1.406 . . . . 0.0 111.827 168.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -58.01 -38.31 75.92 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 118.603 0.638 . . . . 0.0 110.734 172.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -76.4 -11.75 59.94 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.096 1.359 . . . . 0.0 113.384 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 58.0 mt -93.81 -45.18 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.657 1.583 . . . . 0.0 110.924 175.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -66.42 -34.9 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 121.308 -0.87 . . . . 0.0 111.616 175.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -100.45 14.48 31.05 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 176.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.4 132.74 46.84 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.031 -1.043 . . . . 0.0 111.493 168.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.8 p -92.78 -5.13 51.81 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.14 1.376 . . . . 0.0 114.149 173.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 m -136.99 119.48 15.9 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.791 1.178 . . . . 0.0 113.36 -170.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -57.92 -35.74 71.49 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 121.04 -1.037 . . . . 0.0 112.564 169.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.3 p -65.43 -17.42 64.53 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.545 1.938 . . . . 0.0 115.036 176.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -102.62 -36.7 8.25 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.034 1.333 . . . . 0.0 111.48 172.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.1 mt -53.44 -42.08 66.76 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.812 1.245 . . . . 0.0 112.597 173.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -62.3 -21.97 65.66 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 177.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.6 mm -95.0 -34.08 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 124.914 1.286 . . . . 0.0 112.697 176.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.2 mt -55.09 -30.24 59.29 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.308 0.958 . . . . 0.0 112.383 175.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 38.0 mtm -58.51 -51.68 68.83 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.948 0.899 . . . . 0.0 113.182 168.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 14.4 mmt -70.01 -42.8 72.55 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.756 1.222 . . . . 0.0 110.882 -175.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -56.74 -48.31 78.09 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.372 1.069 . . . . 0.0 111.208 172.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.1 m -62.23 -43.62 98.41 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.823 -0.548 . . . . 0.0 111.338 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -65.44 -39.15 91.72 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.7 1.2 . . . . 0.0 113.358 -178.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.0 t -60.79 -52.5 64.8 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.49 1.116 . . . . 0.0 111.104 169.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -69.29 -29.9 67.87 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -174.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 26.2 t -66.04 -50.43 69.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.356 1.062 . . . . 0.0 111.223 171.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -61.49 -38.68 88.21 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.769 0.713 . . . . 0.0 112.052 176.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -61.98 -48.55 79.84 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 118.912 -0.566 . . . . 0.0 111.752 173.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.63 -40.6 88.16 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.107 0.867 . . . . 0.0 112.08 177.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.24 -52.4 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.246 1.018 . . . . 0.0 111.134 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.0 t -67.01 -40.4 87.28 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 117.991 0.359 . . . . 0.0 111.48 -177.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -52.15 -41.39 62.52 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.448 1.499 . . . . 0.0 112.278 170.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -83.34 -30.24 27.64 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.436 1.272 . . . . 0.0 114.436 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -95.08 0.78 54.69 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -178.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.2 mttm . . . . . 0 N--CA 1.48 1.068 0 C-N-CA 126.982 2.113 . . . . 0.0 113.512 176.899 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.1 mp . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 119.139 -0.458 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.438 ' HA ' ' HG2' ' A' ' 5' ' ' ARG . 64.1 m-20 -47.52 -47.33 27.85 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 127.411 2.285 . . . . 0.0 112.937 165.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 p -55.41 -37.44 67.63 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.996 1.318 . . . . 0.0 113.087 169.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -72.7 -44.63 61.5 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.356 1.462 . . . . 0.0 113.034 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.438 ' HG2' ' HA ' ' A' ' 2' ' ' ASP . 21.8 ptt180 -73.61 -28.44 61.81 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 118.743 -0.646 . . . . 0.0 111.8 178.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -66.61 -46.19 76.69 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 118.981 0.81 . . . . 0.0 110.779 167.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -55.24 -45.94 76.02 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.59 0.632 . . . . 0.0 111.47 174.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.27 -44.02 97.49 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.626 0.77 . . . . 0.0 112.834 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -69.12 -37.47 78.35 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.874 -1.141 . . . . 0.0 113.128 173.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -63.62 -37.65 88.15 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.437 1.017 . . . . 0.0 111.224 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -61.9 -48.39 80.69 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.062 0.945 . . . . 0.0 112.366 173.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.6 m -75.84 -28.77 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 O-C-N 120.694 -1.254 . . . . 0.0 113.098 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.0 -54.51 46.12 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.751 1.22 . . . . 0.0 110.343 168.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -65.31 -36.28 83.58 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -68.72 -45.68 70.91 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.583 0.629 . . . . 0.0 111.256 -179.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.45 -48.4 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 121.285 -0.884 . . . . 0.0 111.107 176.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.41 -28.7 68.13 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.781 1.173 . . . . 0.0 112.99 178.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -63.52 -50.07 71.03 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 118.965 0.802 . . . . 0.0 109.915 169.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.2 mm -69.59 -28.02 36.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 123.299 0.64 . . . . 0.0 111.889 -175.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.3 t -57.83 -50.89 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 CA-C-N 119.528 1.058 . . . . 0.0 110.809 164.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.23 -44.35 97.18 Favored Glycine 0 CA--C 1.535 1.328 0 O-C-N 121.77 -0.581 . . . . 0.0 113.367 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -67.97 -22.37 65.03 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.347 -1.09 . . . . 0.0 113.398 176.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.3 t -74.3 -49.48 22.86 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.577 0.751 . . . . 0.0 110.946 168.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -60.14 -27.79 67.37 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 174.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.71 -33.42 75.83 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 172.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -105.6 -8.93 17.67 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.9 p -87.06 -171.22 3.41 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.475 1.11 . . . . 0.0 111.066 164.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 t -157.58 162.6 38.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.943 1.697 . . . . 0.0 109.435 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -45.98 -38.2 7.44 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.919 0.887 . . . . 0.0 112.733 168.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -66.43 -15.72 63.54 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.935 1.294 . . . . 0.0 114.126 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 71.5 mtt-85 -135.37 26.82 3.46 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 127.111 2.165 . . . . 0.0 111.477 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -52.91 -36.97 60.22 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.036 0.934 . . . . 0.0 112.126 -175.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.22 -34.93 66.76 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 128.438 2.695 . . . . 0.0 112.782 178.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.1 mm -65.08 -47.54 87.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.155 0.982 . . . . 0.0 110.298 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -42.26 98.5 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.606 0.762 . . . . 0.0 111.762 175.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 70.0 t -61.5 -47.26 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-N 119.047 0.84 . . . . 0.0 111.377 175.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.31 -35.64 80.9 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.9 tp -73.03 -35.09 66.69 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.486 -0.759 . . . . 0.0 112.407 174.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 37.7 t -59.0 -38.76 75.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 CA-C-N 119.847 1.203 . . . . 0.0 111.365 173.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -59.08 -41.61 88.45 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 175.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -75.49 -45.92 35.5 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.322 1.049 . . . . 0.0 111.08 175.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.5 mt -50.21 -44.3 53.07 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.712 -1.243 . . . . 0.0 112.326 177.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -81.17 -22.34 39.04 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -61.33 -46.64 89.42 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.618 1.167 . . . . 0.0 110.026 170.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.5 mt -64.74 -43.57 96.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 123.889 0.875 . . . . 0.0 110.113 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -61.38 -46.21 91.13 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.445 -0.784 . . . . 0.0 112.091 175.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -60.15 -45.57 92.61 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.207 1.803 . . . . 0.0 112.393 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -62.47 -52.51 63.22 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.628 1.171 . . . . 0.0 111.838 174.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -74.48 -28.24 60.93 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 118.089 -0.958 . . . . 0.0 112.299 -173.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.6 mt -56.63 -36.51 69.57 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 120.257 1.39 . . . . 0.0 112.41 167.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.95 -36.66 82.72 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.969 0.804 . . . . 0.0 111.146 175.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -67.4 -35.37 79.15 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.132 0.973 . . . . 0.0 111.851 173.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.8 mm -60.3 -52.0 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 119.116 0.871 . . . . 0.0 111.359 172.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -80.97 -21.31 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -171.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -76.3 -22.95 54.38 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 120.879 -1.138 . . . . 0.0 112.832 169.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 t -79.21 145.86 33.38 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 122.294 1.045 . . . . 0.0 113.308 -176.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -131.23 39.63 3.52 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.638 1.575 . . . . 0.0 109.779 162.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.0 m -136.24 105.67 6.08 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 119.956 -1.715 . . . . 0.0 111.666 -175.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.47 -36.43 78.26 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.178 1.391 . . . . 0.0 114.742 -170.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.2 p -64.01 -55.1 24.78 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 119.018 0.826 . . . . 0.0 111.544 174.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.8 mp0 -60.41 -38.37 83.81 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.692 0.678 . . . . 0.0 112.066 178.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.7 mt -56.15 -41.19 75.03 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.645 0.778 . . . . 0.0 112.694 172.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -70.83 -39.04 73.24 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.359 0.527 . . . . 0.0 112.127 176.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.7 mm -69.46 -32.98 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 119.922 1.237 . . . . 0.0 112.008 177.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.5 mt -56.19 -28.04 56.78 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.029 0.832 . . . . 0.0 113.059 175.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 42.6 mtm -60.93 -52.45 64.98 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.373 0.533 . . . . 0.0 110.738 170.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -68.15 -38.31 81.98 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.785 1.234 . . . . 0.0 112.678 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.36 -43.21 99.26 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.612 0.765 . . . . 0.0 111.671 173.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.6 p -65.43 -39.96 92.74 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.68 -0.637 . . . . 0.0 111.675 175.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -59.63 -42.42 92.69 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.462 1.505 . . . . 0.0 112.095 177.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.2 m -55.62 -49.58 72.46 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.568 0.747 . . . . 0.0 111.979 172.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -64.49 -36.92 85.75 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.462 0.574 . . . . 0.0 112.291 176.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.0 t -69.66 -47.16 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.573 0.749 . . . . 0.0 112.207 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -73.43 -30.85 63.49 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.695 -0.628 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.16 -46.49 88.25 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 120.582 -1.324 . . . . 0.0 111.175 164.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.66 -37.36 81.27 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 118.846 0.748 . . . . 0.0 112.143 178.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.1 t -57.18 -60.22 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 119.732 1.151 . . . . 0.0 110.488 171.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.0 t -66.27 -30.86 71.38 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -174.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -62.27 -29.73 70.62 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.588 -1.32 . . . . 0.0 112.45 171.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -100.65 -12.25 19.34 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.776 1.23 . . . . 0.0 114.16 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -70.36 -17.48 63.05 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 120.22 1.373 . . . . 0.0 113.867 171.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.6 mtmp? . . . . . 0 C--O 1.253 1.26 0 CA-C-O 116.835 -1.555 . . . . 0.0 114.741 -164.723 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 N--CA 1.477 0.895 0 CA-C-O 120.891 0.377 . . . . 0.0 111.98 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.415 ' CG ' ' H ' ' A' ' 3' ' ' SER . 9.2 p-10 -98.35 -62.51 1.23 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 127.117 2.167 . . . . 0.0 110.142 175.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.415 ' H ' ' CG ' ' A' ' 2' ' ' ASP . 20.8 m -58.74 -32.98 69.73 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 124.758 1.223 . . . . 0.0 110.688 169.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -61.09 -38.74 87.35 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.963 1.305 . . . . 0.0 113.499 175.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -87.45 -26.73 23.1 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 121.904 -0.497 . . . . 0.0 112.034 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -68.65 -43.4 76.31 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 122.852 0.461 . . . . 0.0 110.735 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -39.78 94.38 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-O 119.028 -0.51 . . . . 0.0 111.832 172.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.88 -44.04 94.25 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 119.174 -0.441 . . . . 0.0 111.502 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.6 ptt85 -66.8 -44.2 81.89 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.662 0.664 . . . . 0.0 110.927 173.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -67.74 -36.16 80.06 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.317 0.962 . . . . 0.0 112.142 -172.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -57.42 -42.59 82.64 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.667 1.187 . . . . 0.0 111.919 172.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.0 m -83.23 -35.15 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 121.48 -0.762 . . . . 0.0 112.978 -178.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -59.68 -49.65 76.93 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.583 1.083 . . . . 0.0 112.248 168.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -69.05 -25.12 64.31 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -178.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.44 ' CD2' ' HG2' ' A' ' 70' ' ' ARG . 16.8 t80 -79.47 -47.02 16.35 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 172.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.422 HG13 ' HB3' ' A' ' 42' ' ' LEU . 3.6 t -59.34 -44.27 92.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-N 119.897 1.226 . . . . 0.0 111.193 176.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -64.81 -28.81 69.82 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 120.326 1.421 . . . . 0.0 113.169 176.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -74.94 -49.54 19.78 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.839 1.256 . . . . 0.0 109.294 -179.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.8 mm -63.37 -37.95 80.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 124.018 0.927 . . . . 0.0 111.431 175.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.0 t -63.33 -48.83 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 121.161 -0.962 . . . . 0.0 111.692 170.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.62 -38.05 95.77 Favored Glycine 0 CA--C 1.534 1.239 0 CA-C-N 119.72 1.146 . . . . 0.0 113.279 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -69.22 -28.88 66.75 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.391 1.476 . . . . 0.0 112.443 174.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 p -60.53 -34.06 73.57 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 120.78 -1.2 . . . . 0.0 112.267 175.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -69.52 -26.93 64.76 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 172.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.72 -40.11 61.49 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.839 0.856 . . . . 0.0 112.339 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.14 -6.14 59.37 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 176.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.9 m -107.63 160.35 15.76 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -172.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.8 m -97.63 147.73 24.02 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.691 1.996 . . . . 0.0 109.494 165.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -54.43 -41.29 69.21 Favored 'General case' 0 N--CA 1.484 1.266 0 O-C-N 120.669 -1.27 . . . . 0.0 112.343 172.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -68.0 4.11 1.32 Allowed 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.012 1.725 . . . . 0.0 114.62 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -123.76 20.19 9.34 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.331 2.252 . . . . 0.0 112.829 172.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -58.95 -15.95 15.44 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 m -55.37 -31.58 61.89 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.605 -1.309 . . . . 0.0 112.113 168.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.0 mt -74.4 -52.3 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.378 1.071 . . . . 0.0 110.377 175.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.3 p -64.51 -47.03 80.42 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.823 -0.548 . . . . 0.0 111.834 -177.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.1 t -62.14 -35.31 68.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.079 0.952 . . . . 0.0 111.902 178.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.45 -49.57 53.78 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 119.539 1.063 . . . . 0.0 112.126 173.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 67.4 tp -62.37 -36.42 82.24 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.528 0.731 . . . . 0.0 112.039 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.4 t -60.81 -45.49 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.616 1.166 . . . . 0.0 111.659 173.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -66.6 -36.21 82.05 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 177.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -69.34 -48.18 62.17 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 118.743 0.701 . . . . 0.0 111.633 174.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.422 ' HB3' HG13 ' A' ' 16' ' ' VAL . 97.9 mt -61.98 -33.63 74.66 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 120.852 -1.155 . . . . 0.0 112.509 177.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -63.45 -39.51 94.67 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 118.326 -0.845 . . . . 0.0 112.959 169.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -70.62 -44.24 67.64 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.437 1.017 . . . . 0.0 110.278 -176.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.59 -46.72 95.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 123.447 0.699 . . . . 0.0 110.421 175.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -57.26 -44.86 84.28 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.748 0.819 . . . . 0.0 111.775 174.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -71.35 -44.76 64.42 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.745 1.618 . . . . 0.0 112.725 -174.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -60.19 -49.82 76.12 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.485 -0.759 . . . . 0.0 111.071 171.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -71.79 -31.76 66.92 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 118.414 -0.803 . . . . 0.0 112.229 -175.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.4 mt -52.87 -45.69 67.58 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.825 1.193 . . . . 0.0 111.548 166.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -66.01 -41.11 91.45 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.766 0.712 . . . . 0.0 111.638 178.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -67.44 -20.1 65.45 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.022 0.929 . . . . 0.0 113.366 177.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.5 mt -93.34 -47.92 13.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 126.607 1.963 . . . . 0.0 111.064 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 p -64.19 -38.26 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 O-C-N 121.193 -0.942 . . . . 0.0 111.344 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.49 -4.04 58.11 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 177.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.62 133.55 53.79 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.268 1.027 . . . . 0.0 112.889 -163.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.2 t -104.47 1.32 29.84 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.235 1.414 . . . . 0.0 113.096 -167.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.7 m -138.7 115.23 10.54 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.735 1.614 . . . . 0.0 110.338 -169.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -67.24 -35.6 79.89 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -169.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.9 p -73.99 -35.12 64.41 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.436 -0.79 . . . . 0.0 112.815 173.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.74 -27.99 68.06 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.16 -0.963 . . . . 0.0 112.963 -175.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.8 mt -51.87 -38.76 57.31 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.139 0.976 . . . . 0.0 112.704 170.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -68.63 -43.64 75.91 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 117.792 0.269 . . . . 0.0 110.897 175.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.9 mm -67.35 -34.01 66.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 O-C-N 121.137 -0.977 . . . . 0.0 111.554 -176.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.1 mt -58.35 -29.15 65.73 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.746 -0.645 . . . . 0.0 112.672 172.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.3 mtm -65.7 -43.4 89.28 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.462 1.028 . . . . 0.0 111.29 171.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -75.01 -40.76 60.45 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.377 -0.827 . . . . 0.0 112.293 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -58.29 -53.46 58.09 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.786 0.721 . . . . 0.0 111.404 172.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.9 p -62.64 -36.8 83.98 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 122.361 -0.212 . . . . 0.0 111.506 -179.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.44 ' HG2' ' CD2' ' A' ' 15' ' ' TYR . 30.9 mtp-105 -66.39 -45.23 80.73 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.433 1.093 . . . . 0.0 112.874 176.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 m -57.75 -37.66 74.01 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 118.787 -0.625 . . . . 0.0 112.386 170.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -70.65 -36.62 73.49 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.091 0.957 . . . . 0.0 113.462 174.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.4 t -63.95 -44.1 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 119.347 0.976 . . . . 0.0 110.945 171.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -67.9 -28.77 67.79 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.456 0.702 . . . . 0.0 112.692 176.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -71.48 -40.21 70.39 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.144 1.378 . . . . 0.0 112.482 169.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.31 -42.91 96.55 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.503 -0.748 . . . . 0.0 110.644 171.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.9 t -60.07 -47.55 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.711 169.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.8 t -57.35 -27.25 62.09 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.67 1.188 . . . . 0.0 113.852 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -79.96 -57.29 3.71 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.372 1.469 . . . . 0.0 112.323 171.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -77.81 -11.78 59.92 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -171.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -73.62 -15.73 61.25 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 120.877 -1.139 . . . . 0.0 113.801 172.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.2 mttt . . . . . 0 C--O 1.246 0.879 0 C-N-CA 124.563 1.145 . . . . 0.0 114.019 -167.199 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.484 1.231 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -84.29 -56.27 3.73 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 120.777 1.626 . . . . 0.0 112.846 -164.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 p -67.02 -15.82 63.97 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.181 -1.574 . . . . 0.0 112.691 166.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -76.07 -41.1 51.59 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 169.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 ptp85 -64.06 -28.2 69.62 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.525 -0.734 . . . . 0.0 111.896 166.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -63.66 -38.54 91.49 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.784 0.834 . . . . 0.0 112.152 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -67.72 -43.65 79.51 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.911 -0.493 . . . . 0.0 111.429 171.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.16 -38.14 89.61 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -178.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -67.21 -37.59 83.89 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.322 -0.862 . . . . 0.0 111.977 171.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -65.28 -39.02 92.03 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.993 0.917 . . . . 0.0 112.27 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -57.19 -47.0 82.35 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.721 1.209 . . . . 0.0 112.278 174.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.5 m -80.93 -32.32 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 O-C-N 121.141 -0.974 . . . . 0.0 113.069 -178.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.45 -51.03 69.94 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.741 1.216 . . . . 0.0 111.161 168.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -67.76 -35.73 79.23 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.24 0.473 . . . . 0.0 112.121 -177.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -66.18 -40.69 90.65 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.645 -0.659 . . . . 0.0 111.849 177.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.0 t -62.15 -51.33 73.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 O-C-N 121.183 -0.948 . . . . 0.0 111.885 174.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -64.57 -29.69 70.71 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 120.294 1.406 . . . . 0.0 113.003 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -70.81 -49.14 49.58 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.07 0.948 . . . . 0.0 110.043 178.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.8 mm -66.86 -36.92 78.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 123.902 0.881 . . . . 0.0 111.081 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.78 -49.97 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 118.915 0.779 . . . . 0.0 111.274 168.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.61 -37.91 95.47 Favored Glycine 0 CA--C 1.532 1.142 0 CA-C-N 118.758 0.708 . . . . 0.0 113.832 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -71.73 -26.9 62.67 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.564 1.146 . . . . 0.0 112.888 173.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.5 p -64.14 -35.02 79.41 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.495 1.043 . . . . 0.0 112.806 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -72.28 -33.82 67.73 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.642 -0.661 . . . . 0.0 112.466 169.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.14 -45.43 85.05 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.751 0.705 . . . . 0.0 111.85 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . 0.25 8.8 ptmm? -87.33 17.5 4.38 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 86.5 p -138.09 -162.38 1.3 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.282 1.833 . . . . 0.0 110.778 174.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.3 m -144.47 146.09 32.24 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.314 1.846 . . . . 0.0 108.781 175.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -37.14 -43.87 0.52 Allowed 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 116.204 1.928 . . . . 0.0 116.204 -174.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -30.66 62.37 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.666 1.121 . . . . 0.0 113.044 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -91.63 14.63 14.55 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.39 1.876 . . . . 0.0 114.512 175.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -56.6 -20.4 20.81 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 p -54.5 -38.96 67.09 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.978 1.263 . . . . 0.0 112.123 169.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.8 mt -75.71 -38.69 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 124.189 0.996 . . . . 0.0 110.625 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.2 p -68.7 -44.88 73.02 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.335 -0.853 . . . . 0.0 111.68 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.37 -38.64 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 125.57 1.548 . . . . 0.0 112.096 173.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.49 -44.2 79.09 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.085 -1.009 . . . . 0.0 112.445 173.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.8 tp -64.01 -41.18 97.55 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.751 0.82 . . . . 0.0 112.067 175.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.0 t -54.49 -41.49 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 126.03 1.732 . . . . 0.0 111.452 173.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -64.71 -37.86 89.02 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -71.55 -43.73 65.87 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.196 0.907 . . . . 0.0 111.582 173.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.14 -33.13 74.79 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 120.758 -1.214 . . . . 0.0 112.084 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -65.55 -39.34 91.59 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.599 0.76 . . . . 0.0 112.919 166.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -64.52 -43.5 93.86 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.408 0.549 . . . . 0.0 109.776 -178.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.3 mt -68.79 -46.54 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.682 175.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -55.43 -50.09 70.71 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 120.401 1.455 . . . . 0.0 111.695 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -69.97 -47.71 61.18 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 123.689 0.796 . . . . 0.0 111.707 -176.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.57 -39.52 80.52 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.795 176.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -81.8 -32.32 31.35 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 118.017 -0.992 . . . . 0.0 112.597 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.3 mt -54.23 -47.59 72.03 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 120.401 1.455 . . . . 0.0 110.866 168.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -58.19 -48.57 79.91 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.118 0.567 . . . . 0.0 111.655 172.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -64.86 -28.44 69.55 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.922 -1.111 . . . . 0.0 113.14 -177.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.9 mt -84.23 -45.52 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 126.635 1.974 . . . . 0.0 110.99 -178.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 p -66.16 -33.58 64.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 119.02 0.827 . . . . 0.0 112.064 177.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -82.88 -12.66 57.21 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.5 t -69.81 138.2 52.46 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.328 1.451 . . . . 0.0 113.027 -170.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.7 p -108.57 -32.33 7.42 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.9 m -87.2 114.34 23.72 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.878 1.217 . . . . 0.0 111.707 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -64.96 -36.79 85.53 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -178.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 m -72.27 0.86 8.81 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.13 -0.981 . . . . 0.0 113.628 172.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -104.61 -32.58 8.86 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.515 1.126 . . . . 0.0 112.744 164.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.6 mt -50.3 -42.36 52.45 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.582 1.083 . . . . 0.0 112.116 172.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -65.91 -28.62 69.07 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 176.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.7 mm -82.09 -31.87 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 O-C-N 121.037 -1.039 . . . . 0.0 112.467 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.88 -29.9 30.9 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.085 0.857 . . . . 0.0 111.93 171.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 41.7 mtm -61.34 -54.13 47.75 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.876 0.87 . . . . 0.0 112.52 172.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 37.9 mtm -71.78 -32.06 67.27 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.132 0.973 . . . . 0.0 112.523 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -67.07 -42.78 84.13 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.429 -0.794 . . . . 0.0 112.052 172.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.1 t -62.37 -43.71 98.18 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 118.911 -0.566 . . . . 0.0 110.922 171.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -55.39 -50.29 70.11 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-O 117.82 -1.086 . . . . 0.0 111.265 172.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 t -54.6 -41.27 69.72 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.413 1.085 . . . . 0.0 112.405 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -77.95 -31.07 50.71 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.9 t -71.96 -39.97 67.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 119.959 1.254 . . . . 0.0 110.995 172.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -67.71 -35.57 79.03 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.291 1.836 . . . . 0.0 111.15 176.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -62.3 -47.15 85.58 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 121.119 -0.988 . . . . 0.0 111.922 162.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.99 -40.78 85.9 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.833 1.197 . . . . 0.0 111.767 -178.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.4 t -56.94 -60.19 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-N 118.588 0.631 . . . . 0.0 110.22 167.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.4 m -55.39 -32.79 62.93 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.489 1.115 . . . . 0.0 113.353 -174.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -75.74 -42.99 49.08 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 129.544 3.138 . . . . 0.0 113.121 175.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -86.33 -13.18 47.32 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -178.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -72.57 -8.12 53.58 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.643 1.177 . . . . 0.0 113.992 170.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm . . . . . 0 C--O 1.251 1.15 0 C-N-CA 127.341 2.256 . . . . 0.0 113.769 -173.316 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -86.25 -25.04 25.76 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.323 1.849 . . . . 0.0 114.015 -174.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -86.09 -39.41 16.78 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.397 0.679 . . . . 0.0 110.439 166.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.56 -42.82 83.79 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.368 1.067 . . . . 0.0 113.224 176.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.7 ptt85 -68.1 -28.7 67.56 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 174.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.2 -45.27 49.43 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.144 0.429 . . . . 0.0 110.888 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -51.89 -47.4 64.57 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.916 0.886 . . . . 0.0 111.196 169.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.61 -43.35 89.91 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.627 1.171 . . . . 0.0 113.654 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -68.52 -37.28 79.9 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.523 1.056 . . . . 0.0 112.186 175.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -66.93 -37.43 84.3 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 118.096 -0.954 . . . . 0.0 112.311 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -52.58 -47.3 66.94 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 118.978 0.808 . . . . 0.0 112.125 170.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 m -80.1 -22.21 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -64.49 -44.5 90.79 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.827 1.194 . . . . 0.0 111.156 166.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -61.05 -43.82 98.31 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.567 0.747 . . . . 0.0 112.007 171.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -61.18 -47.49 85.93 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.443 0.565 . . . . 0.0 111.643 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.17 -50.34 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 O-C-N 121.021 -1.049 . . . . 0.0 111.762 176.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -66.59 -35.98 81.5 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 120.561 1.528 . . . . 0.0 112.4 -178.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.7 tttp -63.08 -45.64 91.15 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.498 1.119 . . . . 0.0 110.874 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.5 mm -74.43 -28.14 22.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 124.464 1.105 . . . . 0.0 112.162 -177.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.4 t -61.38 -38.79 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 O-C-N 120.942 -1.099 . . . . 0.0 110.488 163.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.62 -54.71 35.1 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.429 1.014 . . . . 0.0 113.377 167.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -57.08 -36.63 70.81 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 118.253 1.026 . . . . 0.0 112.728 176.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.7 m -65.08 -43.42 92.22 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.827 0.851 . . . . 0.0 111.553 178.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -78.1 -13.03 60.02 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 173.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.27 -36.76 46.39 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.151 0.887 . . . . 0.0 112.625 168.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -103.83 -0.88 28.64 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 -173.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.9 m -92.86 172.09 8.56 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.698 1.199 . . . . 0.0 113.736 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.0 m -138.06 148.48 45.1 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.643 1.577 . . . . 0.0 109.479 -176.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -27.53 18.5 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 116.166 1.914 . . . . 0.0 116.166 -168.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -65.25 -37.13 86.28 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.424 1.09 . . . . 0.0 112.42 174.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -74.97 36.73 0.11 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.954 2.102 . . . . 0.0 112.87 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -63.54 -42.55 98.39 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.816 -1.177 . . . . 0.0 111.994 -178.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.0 m -63.89 -37.8 88.73 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.196 0.598 . . . . 0.0 112.01 173.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.3 mm -69.85 -41.13 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 121.506 -0.746 . . . . 0.0 111.132 178.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -67.28 -42.12 84.35 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 117.742 -1.123 . . . . 0.0 112.076 178.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.4 p -63.52 -50.06 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 120.135 1.334 . . . . 0.0 110.827 169.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.46 -48.56 81.17 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.253 0.933 . . . . 0.0 112.267 -174.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.7 tp -66.21 -40.5 90.4 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.645 0.778 . . . . 0.0 112.167 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.5 t -66.57 -40.29 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 119.855 1.207 . . . . 0.0 111.594 177.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -41.45 97.98 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.626 0.77 . . . . 0.0 111.368 172.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -65.78 -45.67 81.61 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.129 0.972 . . . . 0.0 111.042 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.8 mt -54.69 -36.36 64.59 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.433 1.093 . . . . 0.0 112.019 172.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -76.4 -28.33 56.65 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 172.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -75.67 -42.54 50.94 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.73 1.15 . . . . 0.0 110.057 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.8 mt -56.95 -42.02 78.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 124.724 1.21 . . . . 0.0 109.753 166.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -61.26 -43.36 99.01 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 118.423 -0.799 . . . . 0.0 112.128 175.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -62.14 -49.33 76.3 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.749 1.159 . . . . 0.0 111.774 175.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -55.04 -49.01 72.65 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.131 0.972 . . . . 0.0 111.2 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.569 ' CZ ' ' HE2' ' A' ' 52' ' ' LYS . 30.7 m-85 -78.76 -31.41 46.15 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 117.737 -1.125 . . . . 0.0 112.703 -177.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.5 mt -55.98 -44.51 78.64 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.715 1.598 . . . . 0.0 111.331 165.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -63.1 -43.19 99.18 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.411 1.085 . . . . 0.0 111.814 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.569 ' HE2' ' CZ ' ' A' ' 49' ' ' TYR . 20.0 mtpp -67.77 -34.59 77.11 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.088 -1.008 . . . . 0.0 112.387 176.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.0 mt -79.99 -36.87 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 125.809 1.644 . . . . 0.0 111.847 -177.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 p -77.01 -25.68 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 119.575 1.079 . . . . 0.0 112.988 176.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -94.08 1.72 56.12 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.264 1.026 . . . . 0.0 113.236 174.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.3 m -62.99 128.6 36.63 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 120.614 -1.304 . . . . 0.0 112.725 -174.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.8 t -89.95 -32.47 16.8 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.6 m -119.43 127.99 53.61 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.37 1.068 . . . . 0.0 112.758 -169.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -61.43 -42.9 99.48 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.644 0.777 . . . . 0.0 113.01 -175.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 m -70.81 -6.3 36.82 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -177.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -99.42 -23.79 15.01 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.845 0.858 . . . . 0.0 112.482 170.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.1 mt -58.23 -41.2 83.61 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.948 1.249 . . . . 0.0 111.613 172.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -62.51 -33.26 74.54 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 175.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.0 mm -80.54 -32.61 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 O-C-N 120.95 -1.094 . . . . 0.0 112.464 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.6 mt -55.96 -24.9 41.12 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.1 0.863 . . . . 0.0 112.788 174.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 55.1 mtm -62.0 -50.43 72.09 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.765 0.826 . . . . 0.0 112.885 168.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 47.0 mtm -76.58 -30.23 56.91 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.888 1.275 . . . . 0.0 112.667 -177.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -59.24 -51.92 67.88 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.519 1.128 . . . . 0.0 112.177 164.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.5 m -58.22 -44.04 88.02 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 120.984 0.421 . . . . 0.0 110.239 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -59.14 -41.31 88.01 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.724 1.21 . . . . 0.0 112.406 175.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.4 m -63.26 -43.09 98.95 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.126 0.971 . . . . 0.0 112.499 176.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -67.76 -37.06 81.61 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 119.214 0.916 . . . . 0.0 112.603 173.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.0 t -65.18 -47.6 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.445 0.698 . . . . 0.0 111.22 175.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -56.24 -45.66 79.88 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.624 1.17 . . . . 0.0 111.416 174.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.69 -47.82 81.99 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 176.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.61 78.07 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.887 0.767 . . . . 0.0 111.649 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 99.5 t -63.01 -51.5 71.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 123.295 0.638 . . . . 0.0 110.609 178.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.08 -20.05 59.68 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -171.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -75.44 -33.41 60.9 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.197 0.999 . . . . 0.0 113.542 165.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -89.44 -18.68 26.29 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -87.47 -2.79 58.86 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.463 1.282 . . . . 0.0 114.463 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 116.045 1.869 . . . . 0.0 116.045 -168.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.414 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . 3.0 tt . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 119.021 -0.514 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -62.48 -31.57 72.33 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.962 1.255 . . . . 0.0 111.932 168.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 p -57.98 -30.63 66.2 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.304 -0.872 . . . . 0.0 112.914 168.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -79.49 -41.62 27.04 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 125.434 1.493 . . . . 0.0 111.851 177.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.417 ' HD2' ' HA ' ' A' ' 54' ' ' VAL . 15.4 ptt180 -67.27 -29.1 68.63 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 118.94 -0.552 . . . . 0.0 112.362 178.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -69.54 -50.86 40.91 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 118.657 0.662 . . . . 0.0 111.415 175.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.3 ptmm? -61.27 -36.99 81.55 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.159 -0.963 . . . . 0.0 111.536 173.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.62 92.09 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.214 0.915 . . . . 0.0 113.461 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -66.58 -42.81 86.4 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 119.653 1.115 . . . . 0.0 110.86 174.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -65.83 -36.75 84.37 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -59.43 -38.76 81.49 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.257 1.823 . . . . 0.0 112.578 174.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.6 m -84.76 -30.05 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 O-C-N 121.735 -0.603 . . . . 0.0 112.538 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -58.69 -51.73 68.69 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.182 0.901 . . . . 0.0 112.159 171.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -61.34 -31.45 71.32 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 118.49 0.586 . . . . 0.0 111.858 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -75.61 -48.53 21.83 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.282 0.633 . . . . 0.0 111.299 -177.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.2 t -54.3 -49.51 63.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.105 0.962 . . . . 0.0 110.435 167.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -65.36 -33.98 77.24 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.859 0.864 . . . . 0.0 113.243 -176.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -64.83 -50.08 68.07 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.5 1.12 . . . . 0.0 109.836 172.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.0 mt -72.47 -31.85 39.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 C-N-CA 124.169 0.988 . . . . 0.0 112.513 -174.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.7 t -59.88 -49.94 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 O-C-N 121.085 -1.01 . . . . 0.0 110.946 168.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.22 -37.56 93.05 Favored Glycine 0 CA--C 1.534 1.243 0 CA-C-O 119.617 -0.546 . . . . 0.0 113.533 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -68.06 -32.07 72.16 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.032 1.416 . . . . 0.0 112.474 172.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.3 m -65.13 -38.73 91.56 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.366 -0.834 . . . . 0.0 111.68 173.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -64.78 -41.95 95.47 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.538 -0.726 . . . . 0.0 112.006 169.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.63 -34.24 77.82 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.02 15.08 21.62 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 173.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 t -76.56 162.24 27.94 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.419 1.088 . . . . 0.0 112.442 174.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.38 176.13 9.59 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.59 1.556 . . . . 0.0 109.804 172.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -67.1 -36.4 81.85 Favored 'General case' 0 N--CA 1.483 1.191 0 O-C-N 120.273 -1.517 . . . . 0.0 111.635 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -72.57 -46.05 56.25 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.346 1.858 . . . . 0.0 112.44 171.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -75.56 -11.01 59.94 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -173.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -47.69 -40.88 21.24 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.457 1.903 . . . . 0.0 114.764 -174.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.7 m -57.01 -40.2 76.17 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.243 1.017 . . . . 0.0 112.46 177.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.1 mt -68.96 -46.14 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 C-N-CA 123.771 0.828 . . . . 0.0 109.455 176.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.9 m -55.92 -47.89 76.68 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.049 0.939 . . . . 0.0 111.816 -177.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.2 t -69.47 -41.13 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 121.61 -0.681 . . . . 0.0 111.28 179.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.69 -36.3 83.41 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 118.826 0.739 . . . . 0.0 112.862 177.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.0 tp -69.56 -45.17 69.35 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.322 1.449 . . . . 0.0 111.602 174.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.4 t -62.84 -39.74 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 CA-C-N 120.341 1.428 . . . . 0.0 112.145 175.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -57.88 -39.92 78.97 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.007 0.523 . . . . 0.0 111.407 172.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -73.55 -51.38 17.16 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 118.755 0.707 . . . . 0.0 112.469 177.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.472 HD22 HG13 ' A' ' 73' ' ' VAL . 64.4 mt -51.81 -50.07 61.51 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.521 1.528 . . . . 0.0 112.139 -179.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -72.63 -27.12 61.95 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.482 -0.761 . . . . 0.0 112.658 179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -65.84 -40.08 91.4 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 118.332 -0.842 . . . . 0.0 111.95 171.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.7 mt -61.67 -39.93 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 119.88 1.218 . . . . 0.0 109.69 172.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -56.76 -50.12 73.21 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 118.915 -0.564 . . . . 0.0 111.736 174.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -61.53 -47.37 85.9 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.409 1.083 . . . . 0.0 112.268 179.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -64.34 -47.53 79.02 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.482 0.713 . . . . 0.0 111.54 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -73.05 -28.8 62.54 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 118.162 -0.923 . . . . 0.0 111.97 178.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.3 mt -55.42 -42.36 74.03 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 120.522 1.51 . . . . 0.0 111.447 165.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.98 -39.76 83.23 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.684 0.675 . . . . 0.0 111.629 175.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -63.33 -38.99 93.3 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.434 1.015 . . . . 0.0 111.43 176.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.9 mt -77.89 -39.44 25.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 125.529 1.531 . . . . 0.0 111.855 -174.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.417 ' HA ' ' HD2' ' A' ' 5' ' ' ARG . 9.3 p -67.5 -38.22 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 O-C-N 120.53 -1.356 . . . . 0.0 112.327 175.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -86.21 6.04 31.39 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.401 1.881 . . . . 0.0 113.158 -177.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.1 m -83.84 117.21 23.15 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 120.356 -1.465 . . . . 0.0 112.09 178.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.5 t -85.8 8.6 19.38 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.3 m -141.66 112.91 7.5 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.861 1.264 . . . . 0.0 112.431 -164.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.414 ' HB3' ' HA ' ' A' ' 1' ' ' LEU . 19.4 pt-20 -71.35 -26.64 62.9 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -177.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.9 p -71.73 -21.01 61.82 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.922 1.289 . . . . 0.0 114.17 169.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -86.28 -44.34 12.21 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.866 0.866 . . . . 0.0 110.236 171.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.7 mt -49.54 -40.43 38.16 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.925 1.69 . . . . 0.0 113.631 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -62.97 -30.32 71.49 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 177.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.1 mm -77.8 -36.52 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 O-C-N 120.931 -1.105 . . . . 0.0 111.978 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.55 -27.97 52.09 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 118.665 0.666 . . . . 0.0 111.848 174.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 28.8 mtm -60.33 -55.04 38.45 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.828 0.851 . . . . 0.0 112.086 172.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 45.5 mtm -73.03 -33.47 65.75 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.777 1.231 . . . . 0.0 112.349 -175.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -62.84 -52.67 62.22 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.509 0.595 . . . . 0.0 112.169 170.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.3 t -61.48 -44.14 97.62 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.634 -0.426 . . . . 0.0 109.876 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -57.67 -44.55 85.81 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.17 0.988 . . . . 0.0 112.485 177.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.1 m -61.87 -44.81 96.05 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.352 0.661 . . . . 0.0 112.084 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -72.95 -31.92 64.9 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.404 0.891 . . . . 0.0 113.404 -177.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.472 HG13 HD22 ' A' ' 42' ' ' LEU . 97.3 t -66.66 -40.41 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.664 1.186 . . . . 0.0 110.579 173.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -72.94 -35.93 67.08 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.826 0.85 . . . . 0.0 112.506 175.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -64.94 -39.1 92.98 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.936 -1.102 . . . . 0.0 112.274 173.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.68 -40.73 93.22 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.727 0.811 . . . . 0.0 111.793 174.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.94 -51.52 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-O 118.992 -0.528 . . . . 0.0 110.298 170.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.11 -17.67 64.43 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -175.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -75.52 -55.78 5.34 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.887 1.275 . . . . 0.0 111.962 165.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -72.58 -30.61 64.54 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -174.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.67 -5.3 52.67 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -175.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt . . . . . 0 C--O 1.253 1.259 0 C-N-CA 127.408 2.283 . . . . 0.0 114.571 -164.961 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 10.7 mp . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -19.82 -61.13 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 130.147 3.379 . . . . 0.0 114.951 149.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 p -46.09 -51.45 13.85 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.44 1.896 . . . . 0.0 113.103 170.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -66.33 -38.34 87.42 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.327 1.451 . . . . 0.0 112.732 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -76.58 -12.27 59.99 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 175.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -79.48 -48.31 14.13 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.936 0.894 . . . . 0.0 110.977 169.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -62.81 -40.52 97.62 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.104 0.866 . . . . 0.0 111.135 173.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.22 -44.62 96.17 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.624 0.77 . . . . 0.0 112.855 -175.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -66.81 -31.2 71.67 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.758 -0.589 . . . . 0.0 111.598 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -44.37 71.61 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.801 1.241 . . . . 0.0 111.41 171.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -57.78 -47.65 81.92 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.163 0.985 . . . . 0.0 111.622 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 m -77.64 -27.45 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 121.234 -0.916 . . . . 0.0 113.464 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.16 -55.71 28.14 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.129 0.877 . . . . 0.0 110.993 164.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -69.66 -35.76 75.44 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-O 118.775 -0.631 . . . . 0.0 112.009 -175.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -64.34 -42.21 96.37 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.407 1.003 . . . . 0.0 112.047 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.466 HG11 ' HE2' ' A' ' 46' ' ' LYS . 16.3 t -62.26 -48.53 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 O-C-N 121.161 -0.962 . . . . 0.0 111.541 174.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -70.61 -32.33 69.64 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 120.144 1.338 . . . . 0.0 113.066 -178.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -62.51 -44.57 96.04 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.727 1.611 . . . . 0.0 111.143 175.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.9 mm -80.49 -32.98 13.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.793 1.237 . . . . 0.0 111.317 -176.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.7 t -56.21 -48.7 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-O 118.465 -0.778 . . . . 0.0 109.908 162.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.63 -47.62 83.32 Favored Glycine 0 CA--C 1.535 1.292 0 CA-C-N 119.461 1.028 . . . . 0.0 113.332 175.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -58.09 -37.43 74.5 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.901 -0.764 . . . . 0.0 112.436 173.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.0 p -65.09 -31.87 73.29 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.857 1.208 . . . . 0.0 113.18 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -80.21 -27.31 38.85 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.97 0.908 . . . . 0.0 111.866 173.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.46 -37.61 65.73 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.431 0.692 . . . . 0.0 112.797 172.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -77.81 -31.25 51.62 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.969 0.908 . . . . 0.0 112.807 175.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.7 m -77.09 174.97 10.07 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.481 0.713 . . . . 0.0 112.077 173.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.6 p -118.09 168.38 10.6 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 155.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -45.45 -37.87 5.6 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.096 1.359 . . . . 0.0 112.941 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -56.93 -29.33 63.02 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.589 1.155 . . . . 0.0 113.276 -177.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -100.32 25.64 7.4 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.746 1.219 . . . . 0.0 114.027 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -51.37 -30.13 17.81 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 121.351 -0.843 . . . . 0.0 113.181 170.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -14.71 63.17 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.963 1.705 . . . . 0.0 113.541 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.8 mm -102.44 -43.16 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.781 1.232 . . . . 0.0 110.985 174.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.2 p -60.73 -41.28 95.03 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.756 0.707 . . . . 0.0 111.982 177.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.0 p -56.98 -35.81 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 119.221 0.919 . . . . 0.0 113.158 176.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.3 -46.97 46.52 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.487 -0.758 . . . . 0.0 111.487 176.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.4 tp -64.14 -33.19 75.21 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.204 0.602 . . . . 0.0 112.199 176.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.8 t -60.92 -48.73 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.814 1.246 . . . . 0.0 111.108 171.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -70.43 -26.0 63.46 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -76.49 -47.72 21.94 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.667 1.121 . . . . 0.0 112.501 169.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.403 ' HB3' HG13 ' A' ' 16' ' ' VAL . 76.3 mt -61.63 -36.03 79.61 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 120.409 -1.432 . . . . 0.0 111.911 -179.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -66.84 -33.8 76.39 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.374 -0.829 . . . . 0.0 112.572 170.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -65.4 -45.09 85.36 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 120.064 1.302 . . . . 0.0 111.042 174.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.5 mt -60.06 -36.0 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.132 0.573 . . . . 0.0 111.246 172.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.466 ' HE2' HG11 ' A' ' 16' ' ' VAL . 18.2 ttmt -57.52 -55.91 28.73 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.25 -0.907 . . . . 0.0 111.58 173.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -64.24 -39.07 93.2 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.612 0.642 . . . . 0.0 111.467 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -53.98 -47.16 71.7 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.466 1.107 . . . . 0.0 111.169 172.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -82.73 -34.2 27.27 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.3 mt -57.49 -43.69 84.35 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.61 1.095 . . . . 0.0 110.756 171.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -64.42 -37.45 87.55 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.159 0.983 . . . . 0.0 112.596 173.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -65.92 -36.64 83.93 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 120.793 -1.192 . . . . 0.0 112.111 173.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 57.5 mt -72.26 -34.61 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.199 1.399 . . . . 0.0 112.228 -174.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -70.03 -27.85 34.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 O-C-N 121.084 -1.01 . . . . 0.0 112.954 170.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -91.31 -23.94 19.97 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -177.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.9 t -59.55 135.26 57.61 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.8 1.24 . . . . 0.0 113.16 -169.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.4 t -82.66 -19.21 38.64 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -163.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.2 m -145.92 143.4 29.52 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.108 1.363 . . . . 0.0 111.703 -173.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.35 -43.46 43.85 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.709 1.204 . . . . 0.0 113.336 164.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 99.4 p -71.42 -7.25 46.08 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -97.79 -42.52 7.55 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.659 1.184 . . . . 0.0 110.854 166.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.6 mt -54.5 -42.73 71.13 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.449 1.5 . . . . 0.0 113.579 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -61.18 -30.45 70.42 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 175.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.1 mm -82.45 -31.96 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 O-C-N 121.067 -1.02 . . . . 0.0 111.769 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -53.41 -33.9 55.68 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.424 1.011 . . . . 0.0 111.45 169.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 21.1 mtm -61.68 -48.57 80.19 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.452 0.569 . . . . 0.0 111.466 173.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.1 mmt -70.81 -35.01 72.32 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.389 1.076 . . . . 0.0 112.385 -176.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -77.32 -32.22 55.11 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.225 -0.922 . . . . 0.0 112.874 177.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.5 p -58.29 -45.9 87.07 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.652 -0.655 . . . . 0.0 111.057 163.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -60.48 -43.83 96.57 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.982 1.313 . . . . 0.0 111.013 177.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.8 t -57.08 -47.52 80.82 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.35 1.86 . . . . 0.0 113.174 172.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -77.15 -24.0 51.59 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 120.584 -1.323 . . . . 0.0 113.82 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.2 t -66.84 -43.15 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 123.816 0.846 . . . . 0.0 110.681 167.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -64.93 -37.18 86.79 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.615 0.643 . . . . 0.0 112.325 174.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -59.35 -43.73 92.76 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.387 -0.821 . . . . 0.0 111.825 169.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.15 80.96 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.571 -0.706 . . . . 0.0 112.478 177.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.0 t -59.62 -52.08 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.448 -0.783 . . . . 0.0 110.285 174.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.4 t -64.45 -32.2 73.73 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.192 0.451 . . . . 0.0 112.017 -177.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -64.15 -49.12 73.39 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.156 0.982 . . . . 0.0 112.915 170.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -87.8 -21.28 25.18 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -171.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.55 -21.29 55.87 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.632 1.105 . . . . 0.0 113.234 174.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 50.9 mttm . . . . . 0 C--O 1.251 1.179 0 CA-C-O 116.447 -1.74 . . . . 0.0 114.329 179.222 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.07 -44.13 55.26 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.243 1.417 . . . . 0.0 112.685 -172.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.2 p -69.88 -26.2 64.06 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.702 0.401 . . . . 0.0 111.234 169.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.87 -43.43 71.85 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 174.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -66.31 -29.44 69.65 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 122.106 -0.371 . . . . 0.0 110.897 171.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.59 -45.81 81.8 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.127 1.371 . . . . 0.0 112.701 172.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.0 mttm -64.9 -46.68 80.69 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.71 0.804 . . . . 0.0 110.73 173.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.03 -46.37 89.46 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.999 0.919 . . . . 0.0 111.996 -176.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -44.17 97.08 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.936 0.789 . . . . 0.0 111.605 173.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.3 tptt -68.93 -38.24 79.39 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -172.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -58.52 -46.54 86.53 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.254 1.422 . . . . 0.0 111.799 174.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.4 m -78.33 -31.93 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 121.687 -0.633 . . . . 0.0 112.443 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -63.44 -43.39 97.55 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 118.55 -0.738 . . . . 0.0 111.825 169.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.12 -28.69 61.46 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.718 1.145 . . . . 0.0 112.79 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -67.05 -44.65 79.64 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.161 0.891 . . . . 0.0 111.46 173.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.2 t -62.38 -46.36 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 O-C-N 120.927 -1.108 . . . . 0.0 110.759 170.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -56.23 -45.16 80.07 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.451 1.023 . . . . 0.0 112.306 177.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -59.45 -60.05 4.47 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 124.2 1.0 . . . . 0.0 108.715 175.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.573 HG21 HG21 ' A' ' 77' ' ' VAL 0.33 12.2 mt -73.52 -24.01 19.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 118.711 0.687 . . . . 0.0 112.824 -166.607 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.7 t -61.49 -49.64 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 O-C-N 120.667 -1.271 . . . . 0.0 111.651 163.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.16 -36.2 91.51 Favored Glycine 0 CA--C 1.534 1.242 0 O-C-N 121.545 -0.722 . . . . 0.0 113.464 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.9 -37.41 78.97 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.938 1.295 . . . . 0.0 111.838 175.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.0 t -59.96 -43.91 94.77 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 118.923 -0.561 . . . . 0.0 110.802 175.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -65.38 -38.83 91.18 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.551 1.069 . . . . 0.0 112.622 172.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.26 -9.97 20.79 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 174.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -129.65 27.9 5.2 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.458 1.503 . . . . 0.0 114.58 173.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.3 133.12 32.65 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 178.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.1 p -97.43 169.93 9.41 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.765 1.626 . . . . 0.0 112.197 -175.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -57.51 -36.11 71.13 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 120.6 -1.313 . . . . 0.0 113.74 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -6.87 43.36 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.076 1.35 . . . . 0.0 113.353 174.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -110.15 -4.27 15.88 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.089 1.755 . . . . 0.0 114.134 175.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -45.75 -40.07 9.01 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.641 1.576 . . . . 0.0 114.459 -174.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -34.43 77.72 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.005 1.322 . . . . 0.0 113.309 178.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.9 mt -77.64 -38.87 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.592 1.157 . . . . 0.0 109.535 173.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.2 -48.07 83.27 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.581 0.752 . . . . 0.0 111.374 177.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.5 p -62.54 -44.32 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 CA-C-O 118.297 -0.859 . . . . 0.0 111.211 175.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.83 94.74 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.176 0.898 . . . . 0.0 111.704 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.7 tp -63.47 -43.91 95.97 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.629 0.65 . . . . 0.0 112.336 175.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.19 -41.12 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 O-C-N 121.154 -0.966 . . . . 0.0 111.885 178.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -38.53 91.4 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.33 1.052 . . . . 0.0 111.954 175.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -63.23 -48.56 77.74 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.108 0.563 . . . . 0.0 110.349 172.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.9 mt -61.22 -37.91 84.72 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.081 -1.012 . . . . 0.0 112.993 178.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -64.26 -35.98 82.58 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 118.756 -0.64 . . . . 0.0 111.57 172.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -68.23 -44.08 76.51 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.648 1.113 . . . . 0.0 109.493 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.3 mt -56.87 -45.73 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 123.999 0.92 . . . . 0.0 111.182 171.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -59.31 -52.3 66.25 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.39 0.541 . . . . 0.0 111.157 177.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -60.38 -46.35 90.28 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.494 0.717 . . . . 0.0 111.252 -178.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -59.97 -52.02 67.18 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.189 0.596 . . . . 0.0 112.263 178.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.413 ' CD2' ' HB3' ' A' ' 69' ' ' SER . 25.8 m-85 -73.32 -28.87 62.31 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 118.071 -0.966 . . . . 0.0 111.436 -175.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 64.7 mt -59.33 -39.35 82.86 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.14 1.336 . . . . 0.0 112.218 165.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -27.71 69.43 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.533 -0.729 . . . . 0.0 112.016 173.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -80.23 -29.44 38.46 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.212 1.405 . . . . 0.0 112.63 171.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.7 mm -62.53 -50.95 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 119.483 1.038 . . . . 0.0 111.154 172.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.5 p -69.69 -40.28 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.847 -0.533 . . . . 0.0 111.94 -174.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -81.88 8.56 10.01 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 176.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.0 t -73.48 130.04 39.25 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 119.678 -1.889 . . . . 0.0 111.789 171.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.2 p -95.32 -5.1 44.27 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.422 1.489 . . . . 0.0 112.887 165.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.6 t -127.44 123.07 35.18 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.896 1.678 . . . . 0.0 111.386 -165.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -28.12 57.78 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.536 -0.728 . . . . 0.0 112.464 175.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 p -65.03 -47.03 78.85 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.845 0.858 . . . . 0.0 111.172 169.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -59.48 -42.08 91.26 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.995 1.27 . . . . 0.0 112.223 173.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.2 mt -57.22 -36.52 70.98 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -177.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -71.74 -39.05 70.33 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 118.972 -0.537 . . . . 0.0 111.948 176.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.1 mm -69.71 -34.73 62.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 119.852 1.205 . . . . 0.0 111.656 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.4 mt -57.0 -26.64 60.58 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.4 -0.813 . . . . 0.0 112.824 174.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 37.5 mtm -63.65 -48.5 76.97 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.318 0.963 . . . . 0.0 111.511 171.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -70.48 -38.87 74.47 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.549 0.74 . . . . 0.0 111.717 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -68.9 -42.29 77.07 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.561 -0.712 . . . . 0.0 112.868 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.413 ' HB3' ' CD2' ' A' ' 49' ' ' TYR . 72.8 p -67.68 -40.11 84.44 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 118.667 -0.682 . . . . 0.0 112.523 172.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -57.55 -47.44 82.03 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.199 0.999 . . . . 0.0 111.083 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.3 t -57.58 -42.82 83.86 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 124.221 1.008 . . . . 0.0 111.523 175.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -68.35 -41.77 80.2 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.653 1.181 . . . . 0.0 113.973 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.74 -49.31 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 118.975 0.807 . . . . 0.0 109.619 173.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -75.34 -11.94 60.16 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.511 0.724 . . . . 0.0 112.65 -178.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -73.78 -53.75 9.59 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.423 1.489 . . . . 0.0 110.138 167.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.87 92.01 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.111 0.565 . . . . 0.0 110.652 177.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.573 HG21 HG21 ' A' ' 19' ' ' ILE . 96.5 t -68.28 -48.02 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-O 118.139 -0.934 . . . . 0.0 111.308 -177.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.6 t -65.05 -24.66 67.53 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.889 1.222 . . . . 0.0 112.867 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -79.6 -42.8 24.17 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.802 1.241 . . . . 0.0 113.271 172.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -78.91 -34.82 44.35 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.641 0.776 . . . . 0.0 112.863 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -76.55 -1.01 25.31 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -175.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp . . . . . 0 C--O 1.247 0.964 0 C-N-CA 127.405 2.282 . . . . 0.0 111.925 -169.14 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 92.6 mt . . . . . 0 N--CA 1.483 1.192 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -50.19 -43.01 52.28 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 127.566 2.346 . . . . 0.0 114.538 -175.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.71 -39.68 76.74 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.101 1.361 . . . . 0.0 111.264 177.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.407 ' OE2' ' HE3' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -65.28 -47.83 75.31 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.172 1.389 . . . . 0.0 110.619 -179.644 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.507 ' HG3' HH11 ' A' ' 5' ' ' ARG . 2.2 ptt85 -63.86 -26.81 68.78 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.948 -1.095 . . . . 0.0 112.88 175.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.89 -41.16 78.65 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.995 1.318 . . . . 0.0 111.942 175.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.407 ' HE3' ' OE2' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -76.22 -36.58 58.51 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.123 -0.986 . . . . 0.0 112.746 171.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.24 -45.96 89.15 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.426 1.09 . . . . 0.0 112.284 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -61.47 -42.2 98.42 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.619 0.645 . . . . 0.0 111.465 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -66.23 -39.93 89.91 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 118.908 -0.568 . . . . 0.0 111.554 -176.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 -60.45 -45.56 93.25 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 175.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.4 m -71.91 -32.58 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -62.03 -47.12 86.15 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.791 1.178 . . . . 0.0 111.824 168.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -56.87 -45.35 82.56 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.471 1.032 . . . . 0.0 112.366 172.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -60.74 -46.85 88.86 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.956 0.798 . . . . 0.0 111.486 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.6 t -57.48 -53.21 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.023 0.929 . . . . 0.0 111.309 171.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -64.18 -35.16 79.88 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.888 0.875 . . . . 0.0 112.233 -175.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -70.53 -41.61 72.32 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.593 1.557 . . . . 0.0 110.699 176.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.6 mm -69.39 -32.67 54.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 124.356 1.062 . . . . 0.0 112.535 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.9 t -58.66 -42.81 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 O-C-N 120.8 -1.188 . . . . 0.0 110.578 166.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.88 -46.91 93.15 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 123.541 0.591 . . . . 0.0 113.044 173.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -56.07 -39.78 72.57 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.381 1.072 . . . . 0.0 113.055 176.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.7 t -72.05 -33.83 68.27 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 118.205 -0.902 . . . . 0.0 112.731 177.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -68.29 -34.34 75.98 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.754 1.161 . . . . 0.0 111.39 169.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.98 -1.24 1.92 Allowed 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 173.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -131.1 9.09 4.8 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 163.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.0 p -73.66 162.77 28.83 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -170.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.6 m -138.93 135.56 34.53 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.241 1.416 . . . . 0.0 110.005 -170.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -43.32 -60.05 1.86 Allowed 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 125.263 1.425 . . . . 0.0 111.481 177.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.3 tptt -74.13 15.38 0.32 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.511 1.524 . . . . 0.0 114.732 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 82.5 mmt-85 -131.49 11.62 4.9 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.84 1.656 . . . . 0.0 113.713 172.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -47.12 -38.14 11.02 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.118 1.367 . . . . 0.0 114.031 178.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -30.76 71.4 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.711 -1.243 . . . . 0.0 112.983 179.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.0 mt -83.75 -36.76 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 124.042 0.937 . . . . 0.0 110.982 -177.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.1 p -63.95 -41.26 97.64 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.499 1.045 . . . . 0.0 111.098 168.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.4 t -57.76 -44.72 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-O 118.654 -0.689 . . . . 0.0 111.342 170.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.0 89.48 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.735 1.152 . . . . 0.0 113.752 177.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.9 tp -68.28 -41.43 81.02 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.448 -0.783 . . . . 0.0 111.684 173.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.9 t -64.35 -34.77 71.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 O-C-N 121.083 -1.011 . . . . 0.0 111.662 174.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -60.63 -32.03 71.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.027 0.931 . . . . 0.0 112.559 174.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -82.47 -46.47 13.41 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.144 0.884 . . . . 0.0 111.748 170.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.8 mt -53.26 -44.88 68.53 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 120.674 -1.266 . . . . 0.0 113.248 -176.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -71.57 -28.86 64.13 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 175.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -69.21 -43.62 73.75 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.712 0.805 . . . . 0.0 111.045 178.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.3 mt -60.22 -43.14 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 118.749 0.704 . . . . 0.0 109.458 170.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -59.04 -48.22 82.38 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 118.915 -0.564 . . . . 0.0 112.047 178.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -60.41 -53.25 59.79 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.376 1.07 . . . . 0.0 111.747 176.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -55.84 -44.3 77.84 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.758 1.223 . . . . 0.0 111.185 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.405 ' CD2' ' HB2' ' A' ' 69' ' ' SER . 12.5 m-85 -81.17 -33.09 33.31 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-O 117.576 -1.202 . . . . 0.0 113.361 -178.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.4 mt -54.06 -45.04 71.59 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.695 1.589 . . . . 0.0 110.517 167.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -64.75 -43.05 94.58 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 176.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -70.58 -34.35 72.1 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 118.728 0.695 . . . . 0.0 112.036 -179.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.2 mt -71.93 -39.71 67.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.912 1.285 . . . . 0.0 111.312 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 p -73.26 -23.54 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 O-C-N 121.062 -1.024 . . . . 0.0 112.879 174.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -86.45 -2.74 58.71 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.738 1.615 . . . . 0.0 113.635 171.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 t -71.35 -30.15 65.83 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 116.49 2.033 . . . . 0.0 116.49 -159.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.1 p 48.97 -21.61 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 120.561 3.541 . . . . 0.0 120.561 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.9 t -104.86 132.11 51.52 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 121.102 1.774 . . . . 0.0 110.679 171.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -67.11 -36.25 81.52 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.791 0.836 . . . . 0.0 111.335 172.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.0 m -76.05 -14.09 60.21 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.897 0.879 . . . . 0.0 113.038 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -89.94 -41.4 11.78 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.219 0.918 . . . . 0.0 112.127 162.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.6 mt -51.73 -42.28 62.18 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.444 1.098 . . . . 0.0 113.015 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -60.63 -25.84 66.59 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 178.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.5 mm -86.07 -34.6 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 C-N-CA 124.851 1.26 . . . . 0.0 112.882 177.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.54 -29.71 26.79 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.87 1.214 . . . . 0.0 112.305 176.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 64.0 mtm -60.5 -55.08 37.79 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 171.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 35.8 mtm -68.34 -34.11 75.5 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.333 1.053 . . . . 0.0 111.843 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -66.03 -46.35 78.17 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.194 0.998 . . . . 0.0 112.977 175.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.405 ' HB2' ' CD2' ' A' ' 49' ' ' TYR . 44.5 t -65.49 -43.7 89.37 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.089 0.859 . . . . 0.0 111.19 173.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 -57.54 -42.27 82.61 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.112 0.965 . . . . 0.0 112.307 178.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.5 t -59.74 -54.13 49.94 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.398 1.479 . . . . 0.0 111.997 171.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -59.78 -35.6 74.98 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.55 1.068 . . . . 0.0 112.732 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.3 t -70.03 -47.2 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.296 1.039 . . . . 0.0 111.92 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.08 -45.91 91.44 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.42 0.554 . . . . 0.0 110.856 173.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -59.07 -36.39 75.0 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.355 1.062 . . . . 0.0 112.332 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.33 -46.67 69.6 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.188 0.995 . . . . 0.0 112.418 175.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.4 t -58.25 -49.55 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 119.443 1.02 . . . . 0.0 109.859 172.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.5 t -58.89 -26.89 64.71 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 127.311 2.245 . . . . 0.0 113.899 177.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -76.42 -38.72 55.15 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.662 1.585 . . . . 0.0 112.24 174.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -87.56 -33.59 18.86 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -20.13 61.73 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.039 -1.038 . . . . 0.0 113.483 176.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp . . . . . 0 C--O 1.246 0.9 0 C-N-CA 127.135 2.174 . . . . 0.0 110.269 171.698 . . . . . . . . 0 0 . 1 stop_ save_